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

C60H42N2 — CID 166660208

IUPAC3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-4-16-43(17-5-1)45-32-36-53(37-33-45)61(54-38-34-46(35-39-54)48-21-12-20-47(40-48)44-18-6-2-7-19-44)55-27-14-23-50(42-55)49-22-13-24-51(41-49)56-29-15-31-59-60(56)57-28-10-11-30-58(57)62(59)52-25-8-3-9-26-52/h1-42H
InChIKeyAMGUSUIXVMVHOB-UHFFFAOYSA-N
MW791.01 g/mol
LogP16.59
Rot. Bonds9

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

3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 166660208) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is 3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID166660208
Molecular FormulaC60H42N2
Molecular Weight791.01 g/mol
Exact Mass790.33
IUPAC Name3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-4-16-43(17-5-1)45-32-36-53(37-33-45)61(54-38-34-46(35-39-54)48-21-12-20-47(40-48)44-18-6-2-7-19-44)55-27-14-23-50(42-55)49-22-13-24-51(41-49)56-29-15-31-59-60(56)57-28-10-11-30-58(57)62(59)52-25-8-3-9-26-52/h1-42H
InChIKeyAMGUSUIXVMVHOB-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

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Related Compounds

3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 167196004
3-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166660552
N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline
CID 167195663
3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166660074
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[3-(9-phenylcarbazol-4-yl)phenyl]benzene-1,3-diamine
CID 177275916
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961
3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659605
N,9-diphenyl-5-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169009789
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
3-[3-(4-carbazol-9-ylphenyl)phenyl]-N,N-diphenyl-5-(9-phenylcarbazol-4-yl)aniline
CID 144888422
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 169009894

Frequently Asked Questions

What is the IUPAC name of 3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (CID 166660208) is 3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c3)cc2)cc1.
What is the InChIKey of 3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is AMGUSUIXVMVHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-4-16-43(17-5-1)45-32-36-53(37-33-45)61(54-38-34-46(35-39-54)48-21-12-20-47(40-48)44-18-6-2-7-19-44)55-27-14-23-50(42-55)49-22-13-24-51(41-49)56-29-15-31-59-60(56)57-28-10-11-30-58(57)62(59)52-25-8-3-9-26-52/h1-42H.
What are the key properties of 3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)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 3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 166660208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).