N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

C60H42N2 — CID 172502297

IUPACN-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-3-19-43(20-4-1)44-35-37-45(38-36-44)46-39-41-48(42-40-46)61(59-33-17-18-34-60(59)62-57-31-15-12-28-54(57)55-29-13-16-32-58(55)62)56-30-14-11-27-53(56)52-26-10-9-25-51(52)50-24-8-7-23-49(50)47-21-5-2-6-22-47/h1-42H
InChIKeyLTVZKHJGTUJVEY-UHFFFAOYSA-N
MW791.01 g/mol
LogP16.59
Rot. Bonds9

About N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 172502297) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID172502297
Molecular FormulaC60H42N2
Molecular Weight791.01 g/mol
Exact Mass790.33
IUPAC NameN-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-3-19-43(20-4-1)44-35-37-45(38-36-44)46-39-41-48(42-40-46)61(59-33-17-18-34-60(59)62-57-31-15-12-28-54(57)55-29-13-16-32-58(55)62)56-30-14-11-27-53(56)52-26-10-9-25-51(52)50-24-8-7-23-49(50)47-21-5-2-6-22-47/h1-42H
InChIKeyLTVZKHJGTUJVEY-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-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline
CID 142416169
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502154
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline
CID 167322731
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline
CID 142416181
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134380712
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167322298
N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 170112840
N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172503107
N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167227701
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 134380684
N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-2-phenylaniline
CID 139544518
9-phenyl-N-[2-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501219

Frequently Asked Questions

What is the IUPAC name of N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (CID 172502297) is N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is LTVZKHJGTUJVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-3-19-43(20-4-1)44-35-37-45(38-36-44)46-39-41-48(42-40-46)61(59-33-17-18-34-60(59)62-57-31-15-12-28-54(57)55-29-13-16-32-58(55)62)56-30-14-11-27-53(56)52-26-10-9-25-51(52)50-24-8-7-23-49(50)47-21-5-2-6-22-47/h1-42H.
What are the key properties of N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-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-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 172502297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).