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

C60H42N2 — CID 167196113

IUPACN,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-4-16-43(17-5-1)46-30-36-51(37-31-46)61(52-38-32-47(33-39-52)44-18-6-2-7-19-44)57-27-12-10-24-54(57)49-22-14-23-50(42-49)55-26-15-29-59-60(55)56-25-11-13-28-58(56)62(59)53-40-34-48(35-41-53)45-20-8-3-9-21-45/h1-42H
InChIKeyVIGRMLAQPKSTRE-UHFFFAOYSA-N
MW791.01 g/mol
LogP16.59
Rot. Bonds9

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

N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline (PubChem CID 167196113) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline
PubChem CID167196113
Molecular FormulaC60H42N2
Molecular Weight791.01 g/mol
Exact Mass790.33
IUPAC NameN,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-4-16-43(17-5-1)46-30-36-51(37-31-46)61(52-38-32-47(33-39-52)44-18-6-2-7-19-44)57-27-12-10-24-54(57)49-22-14-23-50(42-49)55-26-15-29-59-60(55)56-25-11-13-28-58(56)62(59)53-40-34-48(35-41-53)45-20-8-3-9-21-45/h1-42H
InChIKeyVIGRMLAQPKSTRE-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-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659568
N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196149
9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine
CID 176878123
9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 155138424
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 166660662
5,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169010302
2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760
2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659838
2-[3-[9-(8-methylnaphthalen-2-yl)carbazol-4-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167196095
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660654

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline?
The IUPAC name of N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline (CID 167196113) is N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline.
What is the SMILES notation for N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline?
The canonical SMILES for N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline?
The InChIKey is VIGRMLAQPKSTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-4-16-43(17-5-1)46-30-36-51(37-31-46)61(52-38-32-47(33-39-52)44-18-6-2-7-19-44)57-27-12-10-24-54(57)49-22-14-23-50(42-49)55-26-15-29-59-60(55)56-25-11-13-28-58(56)62(59)53-40-34-48(35-41-53)45-20-8-3-9-21-45/h1-42H.
What are the key properties of N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline?
N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]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 N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline is sourced from PubChem (CID 167196113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).