2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline

C66H46N2 — CID 118087664

IUPAC2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-5-17-47(18-6-1)51-33-38-58(39-34-51)67(59-40-35-52(36-41-59)48-19-7-2-8-20-48)64-27-15-13-25-61(64)54-31-29-53(30-32-54)55-37-42-66-63(46-55)62-26-14-16-28-65(62)68(66)60-44-56(49-21-9-3-10-22-49)43-57(45-60)50-23-11-4-12-24-50/h1-46H
InChIKeyXGQWSZZZBCWLSD-UHFFFAOYSA-N
MW867.11 g/mol
LogP18.26
Rot. Bonds10

About 2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline

2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline (PubChem CID 118087664) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is 2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
PubChem CID118087664
Molecular FormulaC66H46N2
Molecular Weight867.11 g/mol
Exact Mass866.37
IUPAC Name2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-5-17-47(18-6-1)51-33-38-58(39-34-51)67(59-40-35-52(36-41-59)48-19-7-2-8-20-48)64-27-15-13-25-61(64)54-31-29-53(30-32-54)55-37-42-66-63(46-55)62-26-14-16-28-65(62)68(66)60-44-56(49-21-9-3-10-22-49)43-57(45-60)50-23-11-4-12-24-50/h1-46H
InChIKeyXGQWSZZZBCWLSD-UHFFFAOYSA-N
XLogP18.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.11
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline
CID 90215101
N-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 170271814
2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118289340
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158204517
N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502041
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 166566086
N-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 144844280
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
5,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 169009793
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501726
N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 118087714

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline (CID 118087664) is 2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is XGQWSZZZBCWLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-5-17-47(18-6-1)51-33-38-58(39-34-51)67(59-40-35-52(36-41-59)48-19-7-2-8-20-48)64-27-15-13-25-61(64)54-31-29-53(30-32-54)55-37-42-66-63(46-55)62-26-14-16-28-65(62)68(66)60-44-56(49-21-9-3-10-22-49)43-57(45-60)50-23-11-4-12-24-50/h1-46H.
What are the key properties of 2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline?
2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 867.11 g/mol, XLogP of 18.26, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 118087664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).