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

C60H42N2 — CID 172501079

IUPACN-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C60H42N2/c1-4-19-43(20-5-1)46-23-18-26-50(41-46)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)49-38-35-44(36-39-49)47-37-40-57-56-32-15-17-34-59(56)62(60(57)42-47)48-24-8-3-9-25-48/h1-42H
InChIKeyLGSYASWQRUYQEA-UHFFFAOYSA-N
MW791.01 g/mol
LogP16.59
Rot. Bonds9

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

N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline (PubChem CID 172501079) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
PubChem CID172501079
Molecular FormulaC60H42N2
Molecular Weight791.01 g/mol
Exact Mass790.33
IUPAC NameN-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C60H42N2/c1-4-19-43(20-5-1)46-23-18-26-50(41-46)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)49-38-35-44(36-39-49)47-37-40-57-56-32-15-17-34-59(56)62(60(57)42-47)48-24-8-3-9-25-48/h1-42H
InChIKeyLGSYASWQRUYQEA-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]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501726
N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502793
9-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172500939
3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168790192
N,N-bis(3-phenylphenyl)-2-[2-[9-[3-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline;N,N-diphenyl-2-[2-[9-[2-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline;N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline
CID 157255211
N,N-bis(4-phenylphenyl)-2-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118337780
N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502041
9-phenyl-N-[2-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501219
2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501973
N-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502466

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline (CID 172501079) is N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
The InChIKey is LGSYASWQRUYQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-4-19-43(20-5-1)46-23-18-26-50(41-46)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)49-38-35-44(36-39-49)47-37-40-57-56-32-15-17-34-59(56)62(60(57)42-47)48-24-8-3-9-25-48/h1-42H.
What are the key properties of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-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-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 172501079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).