N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline

C60H42N2 — CID 172503183

IUPACN-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-4-19-43(20-5-1)44-35-38-49(39-36-44)61(58-33-16-14-31-55(58)54-30-13-12-29-53(54)52-28-11-10-27-51(52)45-21-6-2-7-22-45)50-26-18-23-46(41-50)47-37-40-60-57(42-47)56-32-15-17-34-59(56)62(60)48-24-8-3-9-25-48/h1-42H
InChIKeyPWIGYKOIZDZFQP-UHFFFAOYSA-N
MW791.01 g/mol
LogP16.59
Rot. Bonds9

About N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline

N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline (PubChem CID 172503183) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
PubChem CID172503183
Molecular FormulaC60H42N2
Molecular Weight791.01 g/mol
Exact Mass790.33
IUPAC NameN-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-4-19-43(20-5-1)44-35-38-49(39-36-44)61(58-33-16-14-31-55(58)54-30-13-12-29-53(54)52-28-11-10-27-51(52)45-21-6-2-7-22-45)50-26-18-23-46(41-50)47-37-40-60-57(42-47)56-32-15-17-34-59(56)62(60)48-24-8-3-9-25-48/h1-42H
InChIKeyPWIGYKOIZDZFQP-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-[3-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502793
N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502041
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501726
2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168790601
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501382
N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297416
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
9-phenyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790655
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168788688

Frequently Asked Questions

What is the IUPAC name of N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline (CID 172503183) is N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
The InChIKey is PWIGYKOIZDZFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-4-19-43(20-5-1)44-35-38-49(39-36-44)61(58-33-16-14-31-55(58)54-30-13-12-29-53(54)52-28-11-10-27-51(52)45-21-6-2-7-22-45)50-26-18-23-46(41-50)47-37-40-60-57(42-47)56-32-15-17-34-59(56)62(60)48-24-8-3-9-25-48/h1-42H.
What are the key properties of N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)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-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 172503183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).