4-[4-methyl-4-(4-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-N,N-diphenylaniline

C38H34N2 — CID 166826430

IUPAC4-[4-methyl-4-(4-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-N,N-diphenylaniline
SMILESCC1CC=Cc2c1c1ccccc1n2C1(C)C=CC(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=CC1
InChIInChI=1S/C38H34N2/c1-28-12-11-19-36-37(28)34-17-9-10-18-35(34)40(36)38(2)26-24-30(25-27-38)29-20-22-33(23-21-29)39(31-13-5-3-6-14-31)32-15-7-4-8-16-32/h3-11,13-26,28H,12,27H2,1-2H3
InChIKeyPHFATDSCPKGDAA-UHFFFAOYSA-N
MW518.70 g/mol
LogP10.39
Rot. Bonds5

About 4-[4-methyl-4-(4-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-N,N-diphenylaniline

4-[4-methyl-4-(4-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-N,N-diphenylaniline (PubChem CID 166826430) has the molecular formula C38H34N2 and a molecular weight of 518.70 g/mol. Its IUPAC name is 4-[4-methyl-4-(4-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4-methyl-4-(4-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-N,N-diphenylaniline
PubChem CID166826430
Molecular FormulaC38H34N2
Molecular Weight518.70 g/mol
Exact Mass518.27
IUPAC Name4-[4-methyl-4-(4-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-N,N-diphenylaniline
SMILESCC1CC=Cc2c1c1ccccc1n2C1(C)C=CC(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=CC1
InChIInChI=1S/C38H34N2/c1-28-12-11-19-36-37(28)34-17-9-10-18-35(34)40(36)38(2)26-24-30(25-27-38)29-20-22-33(23-21-29)39(31-13-5-3-6-14-31)32-15-7-4-8-16-32/h3-11,13-26,28H,12,27H2,1-2H3
InChIKeyPHFATDSCPKGDAA-UHFFFAOYSA-N
XLogP10.39
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.70
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 91287445
5-bromo-3-N-[11-(1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)benzo[a]carbazol-8-yl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 145156477
8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine
CID 138737549
N-phenyl-N-(4-phenylphenyl)-4-[3-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexa-2,4-dien-1-yl]aniline
CID 134426748
N,N-diphenyl-4-[4-(N-phenylanilino)-4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
CID 156696923
9-[3,4-di(carbazol-9-yl)-6-(4-methyl-3,4-dihydrocarbazol-9-yl)-2,5-di(pyrimidin-2-yl)-1-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole
CID 145186412
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 145077283
4-(4-carbazol-9-ylphenyl)-N-[4-(4-methyl-3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]-N-phenylaniline
CID 129311772
1-N,1-N'-bis(4-methylphenyl)-1-N,1-N',4-triphenylcyclohexa-2,4-diene-1,1-diamine
CID 66967892
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 139514263
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(4-methylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 144854487

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-4-(4-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[4-methyl-4-(4-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-N,N-diphenylaniline (CID 166826430) is 4-[4-methyl-4-(4-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[4-methyl-4-(4-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[4-methyl-4-(4-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-N,N-diphenylaniline is CC1CC=Cc2c1c1ccccc1n2C1(C)C=CC(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=CC1.
What is the InChIKey of 4-[4-methyl-4-(4-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-N,N-diphenylaniline?
The InChIKey is PHFATDSCPKGDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N2/c1-28-12-11-19-36-37(28)34-17-9-10-18-35(34)40(36)38(2)26-24-30(25-27-38)29-20-22-33(23-21-29)39(31-13-5-3-6-14-31)32-15-7-4-8-16-32/h3-11,13-26,28H,12,27H2,1-2H3.
What are the key properties of 4-[4-methyl-4-(4-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-N,N-diphenylaniline?
4-[4-methyl-4-(4-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-N,N-diphenylaniline has a molecular weight of 518.70 g/mol, XLogP of 10.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-4-(4-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-N,N-diphenylaniline is sourced from PubChem (CID 166826430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).