9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine

C60H42N2 — CID 121287924

IUPAC9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4c(-c5ccccc5)cc(-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-6-18-43(19-7-1)45-30-32-46(33-31-45)47-34-36-52(37-35-47)61(53-38-39-55-54-28-16-17-29-58(54)62(59(55)42-53)51-26-14-5-15-27-51)60-56(48-22-10-3-11-23-48)40-50(44-20-8-2-9-21-44)41-57(60)49-24-12-4-13-25-49/h1-42H
InChIKeyQJVOXNGTCUNCQT-UHFFFAOYSA-N
MW791.01 g/mol
LogP16.59
Rot. Bonds9

About 9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine

9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine (PubChem CID 121287924) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is 9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine
PubChem CID121287924
Molecular FormulaC60H42N2
Molecular Weight791.01 g/mol
Exact Mass790.33
IUPAC Name9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4c(-c5ccccc5)cc(-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-6-18-43(19-7-1)45-30-32-46(33-31-45)47-34-36-52(37-35-47)61(53-38-39-55-54-28-16-17-29-58(54)62(59(55)42-53)51-26-14-5-15-27-51)60-56(48-22-10-3-11-23-48)40-50(44-20-8-2-9-21-44)41-57(60)49-24-12-4-13-25-49/h1-42H
InChIKeyQJVOXNGTCUNCQT-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-N-(2,4,6-triphenylphenyl)carbazol-2-amine
CID 121287921
N-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 70808585
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-[9-phenyl-7-[2-phenyl-9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-4-yl]carbazol-2-yl]phenyl]carbazol-2-amine
CID 167219897
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
N-(2-tert-butyl-3,6-diphenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 176781077
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169009943

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine?
The IUPAC name of 9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine (CID 121287924) is 9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine?
The canonical SMILES for 9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4c(-c5ccccc5)cc(-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine?
The InChIKey is QJVOXNGTCUNCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-6-18-43(19-7-1)45-30-32-46(33-31-45)47-34-36-52(37-35-47)61(53-38-39-55-54-28-16-17-29-58(54)62(59(55)42-53)51-26-14-5-15-27-51)60-56(48-22-10-3-11-23-48)40-50(44-20-8-2-9-21-44)41-57(60)49-24-12-4-13-25-49/h1-42H.
What are the key properties of 9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine?
9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)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-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine is sourced from PubChem (CID 121287924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).