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

C60H42N2 — CID 170271781

IUPACN-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C60H42N2/c1-5-20-43(21-6-1)50-41-40-49(42-55(50)45-24-9-3-10-25-45)61(56-32-16-13-28-51(56)44-22-7-2-8-23-44)48-38-36-46(37-39-48)52-31-19-35-59(60(52)47-26-11-4-12-27-47)62-57-33-17-14-29-53(57)54-30-15-18-34-58(54)62/h1-42H
InChIKeyBQTMERHKHBSHTN-UHFFFAOYSA-N
MW791.01 g/mol
LogP16.59
Rot. Bonds9

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

N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(2-phenylphenyl)aniline (PubChem CID 170271781) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(2-phenylphenyl)aniline
PubChem CID170271781
Molecular FormulaC60H42N2
Molecular Weight791.01 g/mol
Exact Mass790.33
IUPAC NameN-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C60H42N2/c1-5-20-43(21-6-1)50-41-40-49(42-55(50)45-24-9-3-10-25-45)61(56-32-16-13-28-51(56)44-22-7-2-8-23-44)48-38-36-46(37-39-48)52-31-19-35-59(60(52)47-26-11-4-12-27-47)62-57-33-17-14-29-53(57)54-30-15-18-34-58(54)62/h1-42H
InChIKeyBQTMERHKHBSHTN-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-[4-[3-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]-2-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170271851
N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 170271578
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline
CID 142416181
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline
CID 142416169
N-[4-(3-benzo[b]carbazol-5-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylnaphthalen-1-amine
CID 170271950
4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline
CID 174309899
N-[2-[4-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
CID 118265653
N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-phenyl-4-(2-phenylphenyl)naphthalen-1-amine
CID 174310766
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-2-(3-phenylphenyl)aniline
CID 167322460
N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 174309808
N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 118103122
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167322298

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(2-phenylphenyl)aniline?
The IUPAC name of N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(2-phenylphenyl)aniline (CID 170271781) is N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(2-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(2-phenylphenyl)aniline?
The canonical SMILES for N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(2-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(2-phenylphenyl)aniline?
The InChIKey is BQTMERHKHBSHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-5-20-43(21-6-1)50-41-40-49(42-55(50)45-24-9-3-10-25-45)61(56-32-16-13-28-51(56)44-22-7-2-8-23-44)48-38-36-46(37-39-48)52-31-19-35-59(60(52)47-26-11-4-12-27-47)62-57-33-17-14-29-53(57)54-30-15-18-34-58(54)62/h1-42H.
What are the key properties of N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(2-phenylphenyl)aniline?
N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(2-phenylphenyl)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-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(2-phenylphenyl)aniline is sourced from PubChem (CID 170271781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).