N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline

C60H42N2 — CID 118103101

IUPACN-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4ccc(-c5ccccc5-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-4-15-43(16-5-1)45-27-29-47(30-28-45)49-19-14-22-54(41-49)61(51-20-8-3-9-21-51)52-38-33-48(34-39-52)55-23-10-11-24-56(55)50-35-40-60-58(42-50)57-25-12-13-26-59(57)62(60)53-36-31-46(32-37-53)44-17-6-2-7-18-44/h1-42H
InChIKeyIYCGYGBVFVOQDD-UHFFFAOYSA-N
MW791.01 g/mol
LogP16.59
Rot. Bonds9

About N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline

N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline (PubChem CID 118103101) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
PubChem CID118103101
Molecular FormulaC60H42N2
Molecular Weight791.01 g/mol
Exact Mass790.33
IUPAC NameN-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4ccc(-c5ccccc5-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-4-15-43(16-5-1)45-27-29-47(30-28-45)49-19-14-22-54(41-49)61(51-20-8-3-9-21-51)52-38-33-48(34-39-52)55-23-10-11-24-56(55)50-35-40-60-58(42-50)57-25-12-13-26-59(57)62(60)53-36-31-46(32-37-53)44-17-6-2-7-18-44/h1-42H
InChIKeyIYCGYGBVFVOQDD-UHFFFAOYSA-N
XLogP16.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.01
LogP ≤ 516.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]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-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
3-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168789959
N-phenyl-3-(9-phenylcarbazol-3-yl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788475
N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline
CID 134236787
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
3-(4-benzo[b]carbazol-5-ylphenyl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 138467813
N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline;N-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 158286296
N-(4-carbazol-9-ylphenyl)-4-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]aniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]aniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158908481
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline?
The IUPAC name of N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline (CID 118103101) is N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline.
What is the SMILES notation for N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline?
The canonical SMILES for N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline is c1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4ccc(-c5ccccc5-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)cc4)c3)cc2)cc1.
What is the InChIKey of N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline?
The InChIKey is IYCGYGBVFVOQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-4-15-43(16-5-1)45-27-29-47(30-28-45)49-19-14-22-54(41-49)61(51-20-8-3-9-21-51)52-38-33-48(34-39-52)55-23-10-11-24-56(55)50-35-40-60-58(42-50)57-25-12-13-26-59(57)62(60)53-36-31-46(32-37-53)44-17-6-2-7-18-44/h1-42H.
What are the key properties of N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline?
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline has a molecular weight of 791.01 g/mol, XLogP of 16.59, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline is sourced from PubChem (CID 118103101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).