3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-9-(4-methylcyclohepta-1,6-dien-1-yl)carbazole

C39H36N2 — CID 143700195

IUPAC3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-9-(4-methylcyclohepta-1,6-dien-1-yl)carbazole
SMILESC/C=C\c1c(CC)c2ccccc2n1-c1cccc(-c2ccc3c(c2)c2ccccc2n3C2=CCC(C)CC=C2)c1
InChIInChI=1S/C39H36N2/c1-4-12-36-32(5-2)33-17-6-8-19-37(33)41(36)31-16-11-14-28(25-31)29-22-24-39-35(26-29)34-18-7-9-20-38(34)40(39)30-15-10-13-27(3)21-23-30/h4,6-12,14-20,22-27H,5,13,21H2,1-3H3/b12-4-
InChIKeyKEAQUOQJXAPXMC-QCDXTXTGSA-N
MW532.73 g/mol
LogP10.83
Rot. Bonds5

About 3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-9-(4-methylcyclohepta-1,6-dien-1-yl)carbazole

3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-9-(4-methylcyclohepta-1,6-dien-1-yl)carbazole (PubChem CID 143700195) has the molecular formula C39H36N2 and a molecular weight of 532.73 g/mol. Its IUPAC name is 3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-9-(4-methylcyclohepta-1,6-dien-1-yl)carbazole.

Molecular Properties

Compound Name3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-9-(4-methylcyclohepta-1,6-dien-1-yl)carbazole
PubChem CID143700195
Molecular FormulaC39H36N2
Molecular Weight532.73 g/mol
Exact Mass532.29
IUPAC Name3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-9-(4-methylcyclohepta-1,6-dien-1-yl)carbazole
SMILESC/C=C\c1c(CC)c2ccccc2n1-c1cccc(-c2ccc3c(c2)c2ccccc2n3C2=CCC(C)CC=C2)c1
InChIInChI=1S/C39H36N2/c1-4-12-36-32(5-2)33-17-6-8-19-37(33)41(36)31-16-11-14-28(25-31)29-22-24-39-35(26-29)34-18-7-9-20-38(34)40(39)30-15-10-13-27(3)21-23-30/h4,6-12,14-20,22-27H,5,13,21H2,1-3H3/b12-4-
InChIKeyKEAQUOQJXAPXMC-QCDXTXTGSA-N
XLogP10.83
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.73
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129298687
3-carbazol-9-yl-5-[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile
CID 146339497
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 149407778
9-cyclohexa-1,5-dien-1-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 155112233
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 139539060
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole
CID 89315996
3-[4-[(E)-2-[4-(3-carbazol-9-ylphenyl)phenyl]ethenyl]phenyl]-9-(4-methylphenyl)carbazole
CID 59383633
9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole
CID 129022406
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-9-(4-methylcyclohepta-1,6-dien-1-yl)carbazole?
The IUPAC name of 3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-9-(4-methylcyclohepta-1,6-dien-1-yl)carbazole (CID 143700195) is 3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-9-(4-methylcyclohepta-1,6-dien-1-yl)carbazole.
What is the SMILES notation for 3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-9-(4-methylcyclohepta-1,6-dien-1-yl)carbazole?
The canonical SMILES for 3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-9-(4-methylcyclohepta-1,6-dien-1-yl)carbazole is C/C=C\c1c(CC)c2ccccc2n1-c1cccc(-c2ccc3c(c2)c2ccccc2n3C2=CCC(C)CC=C2)c1.
What is the InChIKey of 3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-9-(4-methylcyclohepta-1,6-dien-1-yl)carbazole?
The InChIKey is KEAQUOQJXAPXMC-QCDXTXTGSA-N. The full InChI is InChI=1S/C39H36N2/c1-4-12-36-32(5-2)33-17-6-8-19-37(33)41(36)31-16-11-14-28(25-31)29-22-24-39-35(26-29)34-18-7-9-20-38(34)40(39)30-15-10-13-27(3)21-23-30/h4,6-12,14-20,22-27H,5,13,21H2,1-3H3/b12-4-.
What are the key properties of 3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-9-(4-methylcyclohepta-1,6-dien-1-yl)carbazole?
3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-9-(4-methylcyclohepta-1,6-dien-1-yl)carbazole has a molecular weight of 532.73 g/mol, XLogP of 10.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-9-(4-methylcyclohepta-1,6-dien-1-yl)carbazole is sourced from PubChem (CID 143700195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).