4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline

C48H36N2 — CID 131993919

IUPAC4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESC1=CC2c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C48H36N2/c1-4-12-35(13-5-1)37-20-27-42(28-21-37)49(43-29-22-38(23-30-43)36-14-6-2-7-15-36)44-31-24-39(25-32-44)40-26-33-46-45-18-10-11-19-47(45)50(48(46)34-40)41-16-8-3-9-17-41/h1-34,45,47H
InChIKeyCVZXNWTXZDNMCU-UHFFFAOYSA-N
MW640.83 g/mol
LogP12.89
Rot. Bonds7

About 4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 131993919) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is 4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID131993919
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC Name4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESC1=CC2c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C48H36N2/c1-4-12-35(13-5-1)37-20-27-42(28-21-37)49(43-29-22-38(23-30-43)36-14-6-2-7-15-36)44-31-24-39(25-32-44)40-26-33-46-45-18-10-11-19-47(45)50(48(46)34-40)41-16-8-3-9-17-41/h1-34,45,47H
InChIKeyCVZXNWTXZDNMCU-UHFFFAOYSA-N
XLogP12.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)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

3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 155205314
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
N-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154947238
N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine
CID 170278089
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144896810
CID 88967344
CID 88967344
N-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine
CID 175614803
3-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-2-yl]carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 165068663
7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168721277
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
1-N-phenyl-4-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 89059839

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 131993919) is 4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline is C1=CC2c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3N(c3ccccc3)C2C=C1.
What is the InChIKey of 4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is CVZXNWTXZDNMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2/c1-4-12-35(13-5-1)37-20-27-42(28-21-37)49(43-29-22-38(23-30-43)36-14-6-2-7-15-36)44-31-24-39(25-32-44)40-26-33-46-45-18-10-11-19-47(45)50(48(46)34-40)41-16-8-3-9-17-41/h1-34,45,47H.
What are the key properties of 4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 640.83 g/mol, XLogP of 12.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 131993919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).