6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine

C40H36N2 — CID 166997919

IUPAC6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine
SMILESC=CC1=CC(C)C(c2ccc3c(c2)c2cc(N(c4ccccc4)C4C=CC=CC4C)ccc2n3-c2ccccc2)C=C1
InChIInChI=1S/C40H36N2/c1-4-30-19-22-35(29(3)25-30)31-20-23-39-36(26-31)37-27-34(21-24-40(37)42(39)33-16-9-6-10-17-33)41(32-14-7-5-8-15-32)38-18-12-11-13-28(38)2/h4-29,35,38H,1H2,2-3H3
InChIKeyWCCOUCZLCBCOKG-UHFFFAOYSA-N
MW544.74 g/mol
LogP10.45
Rot. Bonds6

About 6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine

6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine (PubChem CID 166997919) has the molecular formula C40H36N2 and a molecular weight of 544.74 g/mol. Its IUPAC name is 6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine
PubChem CID166997919
Molecular FormulaC40H36N2
Molecular Weight544.74 g/mol
Exact Mass544.29
IUPAC Name6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine
SMILESC=CC1=CC(C)C(c2ccc3c(c2)c2cc(N(c4ccccc4)C4C=CC=CC4C)ccc2n3-c2ccccc2)C=C1
InChIInChI=1S/C40H36N2/c1-4-30-19-22-35(29(3)25-30)31-20-23-39-36(26-31)37-27-34(21-24-40(37)42(39)33-16-9-6-10-17-33)41(32-14-7-5-8-15-32)38-18-12-11-13-28(38)2/h4-29,35,38H,1H2,2-3H3
InChIKeyWCCOUCZLCBCOKG-UHFFFAOYSA-N
XLogP10.45
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.74
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine
CID 166670884
6-ethenyl-N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 166764286
N-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 130349362
N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138737604
6-(4-ethenylphenyl)-9-(6-methylcyclohexa-2,4-dien-1-yl)-N-(3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)carbazol-3-amine
CID 154987389
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 139320793
9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 139551277
N-[3-[4,6-bis[3-[naphthalen-2-yl-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]-6-methylcyclohexa-2,4-dien-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 163784193
4-(6a-methyl-12-phenyl-11aH-[1]benzofuro[2,3-a]carbazol-5-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline
CID 156510156
3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 166763972
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-N-[3-methyl-4-(4-naphthalen-1-ylphenyl)cyclohexa-1,5-dien-1-yl]phenanthren-2-amine
CID 166660433

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine?
The IUPAC name of 6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine (CID 166997919) is 6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for 6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for 6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine is C=CC1=CC(C)C(c2ccc3c(c2)c2cc(N(c4ccccc4)C4C=CC=CC4C)ccc2n3-c2ccccc2)C=C1.
What is the InChIKey of 6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine?
The InChIKey is WCCOUCZLCBCOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N2/c1-4-30-19-22-35(29(3)25-30)31-20-23-39-36(26-31)37-27-34(21-24-40(37)42(39)33-16-9-6-10-17-33)41(32-14-7-5-8-15-32)38-18-12-11-13-28(38)2/h4-29,35,38H,1H2,2-3H3.
What are the key properties of 6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine?
6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine has a molecular weight of 544.74 g/mol, XLogP of 10.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 166997919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).