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

C60H42N2 — CID 118337780

IUPACN,N-bis(4-phenylphenyl)-2-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc(-c4ccccc4)cc3-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-5-17-43(18-6-1)46-29-35-51(36-30-46)61(52-37-31-47(32-38-52)44-19-7-2-8-20-44)58-27-15-13-25-54(58)53-39-33-48(45-21-9-3-10-22-45)41-57(53)49-34-40-56-55-26-14-16-28-59(55)62(60(56)42-49)50-23-11-4-12-24-50/h1-42H
InChIKeySTXQHQMTZRIAEN-UHFFFAOYSA-N
MW791.01 g/mol
LogP16.59
Rot. Bonds9

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

N,N-bis(4-phenylphenyl)-2-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline (PubChem CID 118337780) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-2-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)-2-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
PubChem CID118337780
Molecular FormulaC60H42N2
Molecular Weight791.01 g/mol
Exact Mass790.33
IUPAC NameN,N-bis(4-phenylphenyl)-2-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc(-c4ccccc4)cc3-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-5-17-43(18-6-1)46-29-35-51(36-30-46)61(52-37-31-47(32-38-52)44-19-7-2-8-20-44)58-27-15-13-25-54(58)53-39-33-48(45-21-9-3-10-22-45)41-57(53)49-34-40-56-55-26-14-16-28-59(55)62(60(56)42-49)50-23-11-4-12-24-50/h1-42H
InChIKeySTXQHQMTZRIAEN-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-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501726
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
9-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172500939
N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502041
2-[9-(2,5-diphenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline
CID 118349607
4-(9-phenylcarbazol-2-yl)-N,N-bis[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-1-amine;4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 158955630
4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine;4-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-1-amine
CID 157357490
9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 155138424
2-[4-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118265851
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502154
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501973

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-2-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline?
The IUPAC name of N,N-bis(4-phenylphenyl)-2-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline (CID 118337780) is N,N-bis(4-phenylphenyl)-2-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline.
What is the SMILES notation for N,N-bis(4-phenylphenyl)-2-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline?
The canonical SMILES for N,N-bis(4-phenylphenyl)-2-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc(-c4ccccc4)cc3-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)-2-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline?
The InChIKey is STXQHQMTZRIAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-5-17-43(18-6-1)46-29-35-51(36-30-46)61(52-37-31-47(32-38-52)44-19-7-2-8-20-44)58-27-15-13-25-54(58)53-39-33-48(45-21-9-3-10-22-45)41-57(53)49-34-40-56-55-26-14-16-28-59(55)62(60(56)42-49)50-23-11-4-12-24-50/h1-42H.
What are the key properties of N,N-bis(4-phenylphenyl)-2-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline?
N,N-bis(4-phenylphenyl)-2-[4-phenyl-2-(9-phenylcarbazol-2-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-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline is sourced from PubChem (CID 118337780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).