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

C52H46N2 — CID 154987389

IUPAC6-(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
SMILESC=Cc1ccc(-c2ccc3c(c2)c2cc(N(C4=CC(C)C(c5ccccc5)C=C4)C4C=CC(c5ccccc5)=CC4)ccc2n3C2C=CC=CC2C)cc1
InChIInChI=1S/C52H46N2/c1-4-38-19-21-41(22-20-38)43-25-31-51-48(34-43)49-35-46(29-32-52(49)54(51)50-18-12-11-13-36(50)2)53(44-26-23-40(24-27-44)39-14-7-5-8-15-39)45-28-30-47(37(3)33-45)42-16-9-6-10-17-42/h4-26,28-37,44,47,50H,1,27H2,2-3H3
InChIKeyDOHZWZBGQMQRIB-UHFFFAOYSA-N
MW698.95 g/mol
LogP13.50
Rot. Bonds8

About 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

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 (PubChem CID 154987389) has the molecular formula C52H46N2 and a molecular weight of 698.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID154987389
Molecular FormulaC52H46N2
Molecular Weight698.95 g/mol
Exact Mass698.37
IUPAC Name6-(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
SMILESC=Cc1ccc(-c2ccc3c(c2)c2cc(N(C4=CC(C)C(c5ccccc5)C=C4)C4C=CC(c5ccccc5)=CC4)ccc2n3C2C=CC=CC2C)cc1
InChIInChI=1S/C52H46N2/c1-4-38-19-21-41(22-20-38)43-25-31-51-48(34-43)49-35-46(29-32-52(49)54(51)50-18-12-11-13-36(50)2)53(44-26-23-40(24-27-44)39-14-7-5-8-15-39)45-28-30-47(37(3)33-45)42-16-9-6-10-17-42/h4-26,28-37,44,47,50H,1,27H2,2-3H3
InChIKeyDOHZWZBGQMQRIB-UHFFFAOYSA-N
XLogP13.50
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.95
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

N-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-4-yl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 167262278
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 129301169
N-[4-[4-[6-(3,6-diphenylcarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166876353
N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)-9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine
CID 167154612
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
N-[4-[2-[(Z)-but-1-en-3-ynyl]-1-cyclohexa-2,4-dien-1-yl-3-methylindol-5-yl]cyclohexa-2,4-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134591802
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 138569576
9,9-dimethyl-2-N,2-N-diphenyl-7-N-(4-phenylcyclohexa-2,4-dien-1-yl)-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 167250657
4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline
CID 167211262
N,N,9-triphenyl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-2-amine
CID 130241442
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine
CID 170250079
5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 139322280

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1ccc(-c2ccc3c(c2)c2cc(N(C4=CC(C)C(c5ccccc5)C=C4)C4C=CC(c5ccccc5)=CC4)ccc2n3C2C=CC=CC2C)cc1.
What is the InChIKey of 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?
The InChIKey is DOHZWZBGQMQRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H46N2/c1-4-38-19-21-41(22-20-38)43-25-31-51-48(34-43)49-35-46(29-32-52(49)54(51)50-18-12-11-13-36(50)2)53(44-26-23-40(24-27-44)39-14-7-5-8-15-39)45-28-30-47(37(3)33-45)42-16-9-6-10-17-42/h4-26,28-37,44,47,50H,1,27H2,2-3H3.
What are the key properties of 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?
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 has a molecular weight of 698.95 g/mol, XLogP of 13.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154987389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).