N-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine

C58H40N2 — CID 170297284

IUPACN-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)c3cccc4c3c3ccccc3n4-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C58H40N2/c1-5-20-41(21-6-1)45-38-39-54(51(40-45)43-24-9-3-10-25-43)60(56-37-19-36-55-58(56)50-31-14-16-35-53(50)59(55)46-28-11-4-12-29-46)52-34-15-13-30-48(52)49-33-18-27-44-26-17-32-47(57(44)49)42-22-7-2-8-23-42/h1-40H
InChIKeyDYYPJNFJJJCCKG-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

About N-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine

N-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine (PubChem CID 170297284) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
PubChem CID170297284
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC NameN-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)c3cccc4c3c3ccccc3n4-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C58H40N2/c1-5-20-41(21-6-1)45-38-39-54(51(40-45)43-24-9-3-10-25-43)60(56-37-19-36-55-58(56)50-31-14-16-35-53(50)59(55)46-28-11-4-12-29-46)52-34-15-13-30-48(52)49-33-18-27-44-26-17-32-47(57(44)49)42-22-7-2-8-23-42/h1-40H
InChIKeyDYYPJNFJJJCCKG-UHFFFAOYSA-N
XLogP16.07
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303156
N-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286478
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 168835696
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170297250
N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 170298472
4-tert-butyl-2-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170297188
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303084
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 170303290
N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297416
N-(4-phenanthren-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303107
9-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(2-phenylphenyl)carbazol-4-amine
CID 174257736
N-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170294756

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine (CID 170297284) is N-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine is c1ccc(-c2ccc(N(c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)c3cccc4c3c3ccccc3n4-c3ccccc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine?
The InChIKey is DYYPJNFJJJCCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-5-20-41(21-6-1)45-38-39-54(51(40-45)43-24-9-3-10-25-43)60(56-37-19-36-55-58(56)50-31-14-16-35-53(50)59(55)46-28-11-4-12-29-46)52-34-15-13-30-48(52)49-33-18-27-44-26-17-32-47(57(44)49)42-22-7-2-8-23-42/h1-40H.
What are the key properties of N-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine?
N-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine has a molecular weight of 764.97 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine is sourced from PubChem (CID 170297284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).