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

C60H42N2 — CID 155138424

IUPAC9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c4)c4ccccc4-c4cccc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-4-15-43(16-5-1)46-27-29-47(30-28-46)49-31-35-52(36-32-49)61(58-25-12-10-23-55(58)51-22-14-21-50(41-51)45-19-8-3-9-20-45)54-39-40-57-56-24-11-13-26-59(56)62(60(57)42-54)53-37-33-48(34-38-53)44-17-6-2-7-18-44/h1-42H
InChIKeyRGTABIVGLZMOIG-UHFFFAOYSA-N
MW791.01 g/mol
LogP16.59
Rot. Bonds9

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

9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine (PubChem CID 155138424) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is 9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine.

Molecular Properties

Compound Name9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
PubChem CID155138424
Molecular FormulaC60H42N2
Molecular Weight791.01 g/mol
Exact Mass790.33
IUPAC Name9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c4)c4ccccc4-c4cccc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-4-15-43(16-5-1)46-27-29-47(30-28-46)49-31-35-52(36-32-49)61(58-25-12-10-23-55(58)51-22-14-21-50(41-51)45-19-8-3-9-20-45)54-39-40-57-56-24-11-13-26-59(56)62(60(57)42-54)53-37-33-48(34-38-53)44-17-6-2-7-18-44/h1-42H
InChIKeyRGTABIVGLZMOIG-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

2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline
CID 167196113
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
CID 118505806
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153314933
9-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172500939
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627984
N,N-bis(4-phenylphenyl)-2-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118337780
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 174258182
9-phenyl-N-[2-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501219

Frequently Asked Questions

What is the IUPAC name of 9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The IUPAC name of 9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine (CID 155138424) is 9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine.
What is the SMILES notation for 9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The canonical SMILES for 9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c4)c4ccccc4-c4cccc(-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of 9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The InChIKey is RGTABIVGLZMOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-4-15-43(16-5-1)46-27-29-47(30-28-46)49-31-35-52(36-32-49)61(58-25-12-10-23-55(58)51-22-14-21-50(41-51)45-19-8-3-9-20-45)54-39-40-57-56-24-11-13-26-59(56)62(60(57)42-54)53-37-33-48(34-38-53)44-17-6-2-7-18-44/h1-42H.
What are the key properties of 9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine 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 9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine is sourced from PubChem (CID 155138424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).