5-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-11-phenylbenzo[a]carbazole;ethane

C42H36N2 — CID 164569486

IUPAC5-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-11-phenylbenzo[a]carbazole;ethane
SMILESC/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4ccccc34)cc12.CC
InChIInChI=1S/C40H30N2.C2H6/c1-3-30-35-25-27(23-24-39(35)41(37(30)4-2)28-15-7-5-8-16-28)34-26-36-32-20-13-14-22-38(32)42(29-17-9-6-10-18-29)40(36)33-21-12-11-19-31(33)34;1-2/h3-26H,1-2H3;1-2H3/b30-3-,37-4+;
InChIKeyCQQYQCYLJMHZTI-IZBBQTRASA-N
MW568.76 g/mol
LogP10.17
Rot. Bonds3

About 5-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-11-phenylbenzo[a]carbazole;ethane

5-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-11-phenylbenzo[a]carbazole;ethane (PubChem CID 164569486) has the molecular formula C42H36N2 and a molecular weight of 568.76 g/mol. Its IUPAC name is 5-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-11-phenylbenzo[a]carbazole;ethane.

Molecular Properties

Compound Name5-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-11-phenylbenzo[a]carbazole;ethane
PubChem CID164569486
Molecular FormulaC42H36N2
Molecular Weight568.76 g/mol
Exact Mass568.29
IUPAC Name5-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-11-phenylbenzo[a]carbazole;ethane
SMILESC/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4ccccc34)cc12.CC
InChIInChI=1S/C40H30N2.C2H6/c1-3-30-35-25-27(23-24-39(35)41(37(30)4-2)28-15-7-5-8-16-28)34-26-36-32-20-13-14-22-38(32)42(29-17-9-6-10-18-29)40(36)33-21-12-11-19-31(33)34;1-2/h3-26H,1-2H3;1-2H3/b30-3-,37-4+;
InChIKeyCQQYQCYLJMHZTI-IZBBQTRASA-N
XLogP10.17
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.76
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2E,3Z)-2,3-di(ethylidene)-1-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane
CID 142521163
3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole
CID 164569185
3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane
CID 142521150
3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole
CID 142521068
6-[3-[3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]carbazol-9-yl]-5-(2,3,4,5,6-pentahydroxyphenyl)phenyl]benzene-1,2,3,4,5-pentol
CID 153344471
(2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole
CID 142288602
9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
CID 126503545
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 129061317
(2E,3Z)-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2,3-di(ethylidene)-1-phenylindole;ethane
CID 155690992
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole
CID 134530399
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 90321526

Frequently Asked Questions

What is the IUPAC name of 5-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-11-phenylbenzo[a]carbazole;ethane?
The IUPAC name of 5-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-11-phenylbenzo[a]carbazole;ethane (CID 164569486) is 5-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-11-phenylbenzo[a]carbazole;ethane.
What is the SMILES notation for 5-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-11-phenylbenzo[a]carbazole;ethane?
The canonical SMILES for 5-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-11-phenylbenzo[a]carbazole;ethane is C/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4ccccc34)cc12.CC.
What is the InChIKey of 5-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-11-phenylbenzo[a]carbazole;ethane?
The InChIKey is CQQYQCYLJMHZTI-IZBBQTRASA-N. The full InChI is InChI=1S/C40H30N2.C2H6/c1-3-30-35-25-27(23-24-39(35)41(37(30)4-2)28-15-7-5-8-16-28)34-26-36-32-20-13-14-22-38(32)42(29-17-9-6-10-18-29)40(36)33-21-12-11-19-31(33)34;1-2/h3-26H,1-2H3;1-2H3/b30-3-,37-4+;.
What are the key properties of 5-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-11-phenylbenzo[a]carbazole;ethane?
5-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-11-phenylbenzo[a]carbazole;ethane has a molecular weight of 568.76 g/mol, XLogP of 10.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-11-phenylbenzo[a]carbazole;ethane is sourced from PubChem (CID 164569486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).