N-phenyl-3-(11-phenyl-7,8-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline

C52H38N2 — CID 167195970

IUPACN-phenyl-3-(11-phenyl-7,8-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESC1=Cc2c(c3ccc4ccccc4c3n2-c2ccccc2)C(c2cccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2)C1
InChIInChI=1S/C52H38N2/c1-4-14-37(15-5-1)38-26-28-39(29-27-38)40-30-33-45(34-31-40)53(43-18-6-2-7-19-43)46-22-12-17-42(36-46)47-24-13-25-50-51(47)49-35-32-41-16-10-11-23-48(41)52(49)54(50)44-20-8-3-9-21-44/h1-23,25-36,47H,24H2
InChIKeySZNVHVDPCBVDKZ-UHFFFAOYSA-N
MW690.89 g/mol
LogP14.14
Rot. Bonds7

About N-phenyl-3-(11-phenyl-7,8-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline

N-phenyl-3-(11-phenyl-7,8-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 167195970) has the molecular formula C52H38N2 and a molecular weight of 690.89 g/mol. Its IUPAC name is N-phenyl-3-(11-phenyl-7,8-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-3-(11-phenyl-7,8-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID167195970
Molecular FormulaC52H38N2
Molecular Weight690.89 g/mol
Exact Mass690.30
IUPAC NameN-phenyl-3-(11-phenyl-7,8-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESC1=Cc2c(c3ccc4ccccc4c3n2-c2ccccc2)C(c2cccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2)C1
InChIInChI=1S/C52H38N2/c1-4-14-37(15-5-1)38-26-28-39(29-27-38)40-30-33-45(34-31-40)53(43-18-6-2-7-19-43)46-22-12-17-42(36-46)47-24-13-25-50-51(47)49-35-32-41-16-10-11-23-48(41)52(49)54(50)44-20-8-3-9-21-44/h1-23,25-36,47H,24H2
InChIKeySZNVHVDPCBVDKZ-UHFFFAOYSA-N
XLogP14.14
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.89
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-phenyl-3-(11-phenyl-7,8-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-1-yl)-N-(3-phenylphenyl)aniline
CID 167195062
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 168781863
3-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660260
N-phenyl-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N-(4-phenylphenyl)aniline
CID 154589062
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-2-amine
CID 168781816
N-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine
CID 139571824
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 168781839
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 166847504
N-(4-benzo[a]carbazol-11-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 167038330
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 168781705
methane;3-(13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 158501337
N-(4-naphthalen-2-ylphenyl)-N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 155034335

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(11-phenyl-7,8-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-phenyl-3-(11-phenyl-7,8-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 167195970) is N-phenyl-3-(11-phenyl-7,8-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-phenyl-3-(11-phenyl-7,8-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-phenyl-3-(11-phenyl-7,8-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline is C1=Cc2c(c3ccc4ccccc4c3n2-c2ccccc2)C(c2cccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2)C1.
What is the InChIKey of N-phenyl-3-(11-phenyl-7,8-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is SZNVHVDPCBVDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2/c1-4-14-37(15-5-1)38-26-28-39(29-27-38)40-30-33-45(34-31-40)53(43-18-6-2-7-19-43)46-22-12-17-42(36-46)47-24-13-25-50-51(47)49-35-32-41-16-10-11-23-48(41)52(49)54(50)44-20-8-3-9-21-44/h1-23,25-36,47H,24H2.
What are the key properties of N-phenyl-3-(11-phenyl-7,8-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
N-phenyl-3-(11-phenyl-7,8-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 690.89 g/mol, XLogP of 14.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(11-phenyl-7,8-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167195970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).