N-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine

C52H38N2 — CID 175614803

IUPACN-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine
SMILESC1=CC2c3ccc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)c(-c6ccccc6)c5)ccc4c3N(c3ccccc3)C2C=C1
InChIInChI=1S/C52H38N2/c1-5-15-37(16-6-1)38-25-28-43(29-26-38)53(45-30-33-46(39-17-7-2-8-18-39)50(36-45)40-19-9-3-10-20-40)44-31-34-47-41(35-44)27-32-49-48-23-13-14-24-51(48)54(52(47)49)42-21-11-4-12-22-42/h1-36,48,51H
InChIKeyUFNDZGVBJBDSIX-UHFFFAOYSA-N
MW690.89 g/mol
LogP14.04
Rot. Bonds7

About N-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine

N-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine (PubChem CID 175614803) has the molecular formula C52H38N2 and a molecular weight of 690.89 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine
PubChem CID175614803
Molecular FormulaC52H38N2
Molecular Weight690.89 g/mol
Exact Mass690.30
IUPAC NameN-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine
SMILESC1=CC2c3ccc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)c(-c6ccccc6)c5)ccc4c3N(c3ccccc3)C2C=C1
InChIInChI=1S/C52H38N2/c1-5-15-37(16-6-1)38-25-28-43(29-26-38)53(45-30-33-46(39-17-7-2-8-18-39)50(36-45)40-19-9-3-10-20-40)44-31-34-47-41(35-44)27-32-49-48-23-13-14-24-51(48)54(52(47)49)42-21-11-4-12-22-42/h1-36,48,51H
InChIKeyUFNDZGVBJBDSIX-UHFFFAOYSA-N
XLogP14.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.89
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 131993919
CID 88967344
CID 88967344
3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 155205314
N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine
CID 70918178
N-[4-[(10aS)-11-phenyl-6b,10a-dihydrobenzo[a]carbazol-5-yl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine
CID 175613522
N-[3-(5-phenyl-4a,11b-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 167196150
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144896810
N-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154947238
7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168721277
N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-amine
CID 88969898
N,9-diphenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)amino]phenyl]phenyl]-9-phenylcarbazol-3-amine;N-[4-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 165019490

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine (CID 175614803) is N-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine is C1=CC2c3ccc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)c(-c6ccccc6)c5)ccc4c3N(c3ccccc3)C2C=C1.
What is the InChIKey of N-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine?
The InChIKey is UFNDZGVBJBDSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2/c1-5-15-37(16-6-1)38-25-28-43(29-26-38)53(45-30-33-46(39-17-7-2-8-18-39)50(36-45)40-19-9-3-10-20-40)44-31-34-47-41(35-44)27-32-49-48-23-13-14-24-51(48)54(52(47)49)42-21-11-4-12-22-42/h1-36,48,51H.
What are the key properties of N-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine?
N-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine has a molecular weight of 690.89 g/mol, XLogP of 14.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine is sourced from PubChem (CID 175614803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).