3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

C60H42N2 — CID 166659605

IUPAC3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5cccc6c5c5ccc(-c7ccccc7)cc5n6-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-5-15-43(16-6-1)46-27-29-47(30-28-46)49-33-38-54(39-34-49)61(53-36-31-48(32-37-53)44-17-7-2-8-18-44)55-24-13-21-51(41-55)56-25-14-26-58-60(56)57-40-35-50(45-19-9-3-10-20-45)42-59(57)62(58)52-22-11-4-12-23-52/h1-42H
InChIKeyVBQIYVSWYKHCAJ-UHFFFAOYSA-N
MW791.01 g/mol
LogP16.59
Rot. Bonds9

About 3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 166659605) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is 3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID166659605
Molecular FormulaC60H42N2
Molecular Weight791.01 g/mol
Exact Mass790.33
IUPAC Name3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5cccc6c5c5ccc(-c7ccccc7)cc5n6-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-5-15-43(16-6-1)46-27-29-47(30-28-46)49-33-38-54(39-34-49)61(53-36-31-48(32-37-53)44-17-7-2-8-18-44)55-24-13-21-51(41-55)56-25-14-26-58-60(56)57-40-35-50(45-19-9-3-10-20-45)42-59(57)62(58)52-22-11-4-12-23-52/h1-42H
InChIKeyVBQIYVSWYKHCAJ-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

N,9-diphenyl-5-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169009789
4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline
CID 169010334
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961
3-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166660552
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660208
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 167196004
5-naphthalen-2-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169009775
5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010271
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
N,N,5,9-tetraphenylcarbazol-2-amine
CID 155156029
3-(7,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 166659601

Frequently Asked Questions

What is the IUPAC name of 3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 166659605) is 3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5cccc6c5c5ccc(-c7ccccc7)cc5n6-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of 3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is VBQIYVSWYKHCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-5-15-43(16-6-1)46-27-29-47(30-28-46)49-33-38-54(39-34-49)61(53-36-31-48(32-37-53)44-17-7-2-8-18-44)55-24-13-21-51(41-55)56-25-14-26-58-60(56)57-40-35-50(45-19-9-3-10-20-45)42-59(57)62(58)52-22-11-4-12-23-52/h1-42H.
What are the key properties of 3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-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-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 166659605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).