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84109-13-7

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Basic Information
CAS No.: 84109-13-7
Name: 1-Icosyl-2-[(E)-3-(1-icosyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-3H-indolium perchlorate
Molecular Structure:
Molecular Structure of 84109-13-7 (1-Icosyl-2-[(E)-3-(1-icosyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-3H-indolium perchlorate)
Formula: C63H105ClN2O4
Molecular Weight: 989.97
Synonyms: 1-ICOSYL-2-[(E)-3-(1-ICOSYL-3,3-DIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1-PROPENYL]-3,3-DIMETHYL-3H-INDOLIUM PERCHLORATE;3H-INDOLIUM, 1-EICOSYL-2-[3-(1-EICOSYL-1,3-DIHYDRO-3,3-DIMETHYL-2H-INDOL-2-YLIDENE)-1-PROPENYL]-3,3-DIMETHYL-, PERCHLORATE;1-Icosyl-2-[(E)-3-(1-icosyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-3H-indolium perchlorate
PSA: 80.52000
LogP: 20.62220
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Specification

The 1-Icosyl-2-[(E)-3-(1-icosyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-3H-indolium perchlorate, with CAS registry number 84109-13-7, has the systematic name of 1-icosyl-2-[(E,3E)-3-(1-icosyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-indol-1-ium perchlorate. And the chemical formula of this chemical is C63H105ClN2O4.

Physical properties of 1-Icosyl-2-[(E)-3-(1-icosyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-3H-indolium perchlorate: (1)#H bond acceptors: 6; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 40; (4)Polar Surface Area: 80.52 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCCCCCCCCCCN1c2ccccc2C(C1=CC=CC3=[N+](c4ccccc4C3(C)C)CCCCCCCCCCCCCCCCCCCC)(C)C.[O-]Cl(=O)(=O)=O
(2)InChI: InChI=1/C63H105N2.ClHO4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45-54-64-58-50-43-41-48-56(58)62(3,4)60(64)52-47-53-61-63(5,6)57-49-42-44-51-59(57)65(61)55-46-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;2-1(3,4)5/h41-44,47-53H,7-40,45-46,54-55H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
(3)InChIKey: QXVGBDIDOLWBHL-REWHXWOFAO
(4)Std. InChI: InChI=1S/C63H105N2.ClHO4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45-54-64-58-50-43-41-48-56(58)62(3,4)60(64)52-47-53-61-63(5,6)57-49-42-44-51-59(57)65(61)55-46-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;2-1(3,4)5/h41-44,47-53H,7-40,45-46,54-55H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
(5)Std. InChIKey: QXVGBDIDOLWBHL-UHFFFAOYSA-M