11-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-N,6-diphenylbenzo[a]carbazol-9-amine

C58H38N2 — CID 174306195

IUPAC11-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-N,6-diphenylbenzo[a]carbazol-9-amine
SMILESc1ccc(-c2cc3ccccc3c3c2c2ccc(N(c4ccccc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc2n3-c2cccc3ccccc23)cc1
InChIInChI=1S/C58H38N2/c1-3-16-40(17-4-1)54-37-43-20-9-12-26-49(43)58-57(54)52-35-34-46(38-56(52)60(58)55-29-15-21-39-18-7-11-25-48(39)55)59(44-22-5-2-6-23-44)45-32-30-41(31-33-45)53-36-42-19-8-10-24-47(42)50-27-13-14-28-51(50)53/h1-38H
InChIKeyZWDLQYFCHKTLFE-UHFFFAOYSA-N
MW762.96 g/mol
LogP16.20
Rot. Bonds6

About 11-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-N,6-diphenylbenzo[a]carbazol-9-amine

11-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-N,6-diphenylbenzo[a]carbazol-9-amine (PubChem CID 174306195) has the molecular formula C58H38N2 and a molecular weight of 762.96 g/mol. Its IUPAC name is 11-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-N,6-diphenylbenzo[a]carbazol-9-amine.

Molecular Properties

Compound Name11-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-N,6-diphenylbenzo[a]carbazol-9-amine
PubChem CID174306195
Molecular FormulaC58H38N2
Molecular Weight762.96 g/mol
Exact Mass762.30
IUPAC Name11-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-N,6-diphenylbenzo[a]carbazol-9-amine
SMILESc1ccc(-c2cc3ccccc3c3c2c2ccc(N(c4ccccc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc2n3-c2cccc3ccccc23)cc1
InChIInChI=1S/C58H38N2/c1-3-16-40(17-4-1)54-37-43-20-9-12-26-49(43)58-57(54)52-35-34-46(38-56(52)60(58)55-29-15-21-39-18-7-11-25-48(39)55)59(44-22-5-2-6-23-44)45-32-30-41(31-33-45)53-36-42-19-8-10-24-47(42)50-27-13-14-28-51(50)53/h1-38H
InChIKeyZWDLQYFCHKTLFE-UHFFFAOYSA-N
XLogP16.20
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.96
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine
CID 167196384
N-(4-phenanthren-9-ylphenyl)-N-phenyl-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166659716
N,N-bis(4-phenanthren-9-ylphenyl)-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166660342
11-dibenzothiophen-4-yl-N,N,6-triphenylbenzo[a]carbazol-9-amine
CID 174306247
7-naphthalen-1-yl-N,N-bis(4-phenylphenyl)benzo[g]carbazol-9-amine
CID 145362204
N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
CID 174306559
N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 167195599
N-(4-phenanthren-2-ylphenyl)-3-phenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 166660622
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3,5-diphenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 166660632
N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 167195087
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
N-(4-naphthalen-1-ylphenyl)-3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 162481190

Frequently Asked Questions

What is the IUPAC name of 11-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-N,6-diphenylbenzo[a]carbazol-9-amine?
The IUPAC name of 11-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-N,6-diphenylbenzo[a]carbazol-9-amine (CID 174306195) is 11-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-N,6-diphenylbenzo[a]carbazol-9-amine.
What is the SMILES notation for 11-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-N,6-diphenylbenzo[a]carbazol-9-amine?
The canonical SMILES for 11-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-N,6-diphenylbenzo[a]carbazol-9-amine is c1ccc(-c2cc3ccccc3c3c2c2ccc(N(c4ccccc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc2n3-c2cccc3ccccc23)cc1.
What is the InChIKey of 11-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-N,6-diphenylbenzo[a]carbazol-9-amine?
The InChIKey is ZWDLQYFCHKTLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2/c1-3-16-40(17-4-1)54-37-43-20-9-12-26-49(43)58-57(54)52-35-34-46(38-56(52)60(58)55-29-15-21-39-18-7-11-25-48(39)55)59(44-22-5-2-6-23-44)45-32-30-41(31-33-45)53-36-42-19-8-10-24-47(42)50-27-13-14-28-51(50)53/h1-38H.
What are the key properties of 11-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-N,6-diphenylbenzo[a]carbazol-9-amine?
11-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-N,6-diphenylbenzo[a]carbazol-9-amine has a molecular weight of 762.96 g/mol, XLogP of 16.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-N,6-diphenylbenzo[a]carbazol-9-amine is sourced from PubChem (CID 174306195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).