N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine

C56H38N2 — CID 168781710

IUPACN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6)c5c4)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C56H38N2/c1-3-14-40(15-4-1)48-21-11-12-22-49(48)43-28-34-47(35-29-43)57(54-25-13-18-41-16-7-9-23-50(41)54)46-32-26-39(27-33-46)44-31-36-52-53-37-30-42-17-8-10-24-51(42)56(53)58(55(52)38-44)45-19-5-2-6-20-45/h1-38H
InChIKeyZXGYQBZZQKMIDQ-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.56
Rot. Bonds7

About N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine

N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 168781710) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
PubChem CID168781710
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC NameN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6)c5c4)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C56H38N2/c1-3-14-40(15-4-1)48-21-11-12-22-49(48)43-28-34-47(35-29-43)57(54-25-13-18-41-16-7-9-23-50(41)54)46-32-26-39(27-33-46)44-31-36-52-53-37-30-42-17-8-10-24-51(42)56(53)58(55(52)38-44)45-19-5-2-6-20-45/h1-38H
InChIKeyZXGYQBZZQKMIDQ-UHFFFAOYSA-N
XLogP15.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 168781459
N-(3,5-diphenylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphthalen-1-amine
CID 168781568
4-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168782134
9-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 130250239
6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 168781429
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 168781705
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 168782065
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)aniline
CID 168782181
N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline
CID 168781344
N-(4-dibenzothiophen-1-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168781750
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 168781643
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine
CID 168781470

Frequently Asked Questions

What is the IUPAC name of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine (CID 168781710) is N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6)c5c4)cc3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is ZXGYQBZZQKMIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-3-14-40(15-4-1)48-21-11-12-22-49(48)43-28-34-47(35-29-43)57(54-25-13-18-41-16-7-9-23-50(41)54)46-32-26-39(27-33-46)44-31-36-52-53-37-30-42-17-8-10-24-51(42)56(53)58(55(52)38-44)45-19-5-2-6-20-45/h1-38H.
What are the key properties of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine?
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 738.93 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 168781710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).