N-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine

C44H30N2 — CID 139571824

IUPACN-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3c4ccc5ccccc5c4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C44H30N2/c1-3-15-36(16-4-1)45(38-27-24-32(25-28-38)35-23-22-31-12-7-8-14-34(31)30-35)42-21-11-20-40-41-29-26-33-13-9-10-19-39(33)43(41)46(44(40)42)37-17-5-2-6-18-37/h1-30H
InChIKeyKHPQJJQZBZMGPW-UHFFFAOYSA-N
MW586.74 g/mol
LogP12.23
Rot. Bonds5

About N-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine

N-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine (PubChem CID 139571824) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine
PubChem CID139571824
Molecular FormulaC44H30N2
Molecular Weight586.74 g/mol
Exact Mass586.24
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3c4ccc5ccccc5c4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C44H30N2/c1-3-15-36(16-4-1)45(38-27-24-32(25-28-38)35-23-22-31-12-7-8-14-34(31)30-35)42-21-11-20-40-41-29-26-33-13-9-10-19-39(33)43(41)46(44(40)42)37-17-5-2-6-18-37/h1-30H
InChIKeyKHPQJJQZBZMGPW-UHFFFAOYSA-N
XLogP12.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.74
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diphenyl-11-(4-phenylphenyl)benzo[a]carbazol-8-amine;N,N-diphenyl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine;N,N,11-triphenylbenzo[a]carbazol-10-amine
CID 164979626
9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine
CID 118410903
N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-3-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-4-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-5-amine
CID 159554743
N-(4-naphthalen-2-ylphenyl)-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-7-amine
CID 177100103
N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-1-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-2-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 163713790
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168781710
N-(3,5-diphenylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphthalen-1-amine
CID 168781568
N-[4-[4-(4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327844
N-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylbenzo[e]benzimidazol-2-yl)phenyl]naphthalen-1-amine
CID 163826736
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 168781863
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 168781459
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-7-amine
CID 177100436

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine (CID 139571824) is N-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3c4ccc5ccccc5c4n(-c4ccccc4)c23)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine?
The InChIKey is KHPQJJQZBZMGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2/c1-3-15-36(16-4-1)45(38-27-24-32(25-28-38)35-23-22-31-12-7-8-14-34(31)30-35)42-21-11-20-40-41-29-26-33-13-9-10-19-39(33)43(41)46(44(40)42)37-17-5-2-6-18-37/h1-30H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine?
N-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine has a molecular weight of 586.74 g/mol, XLogP of 12.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine is sourced from PubChem (CID 139571824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).