9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine

C56H36N2 — CID 174307600

IUPAC9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
SMILESc1ccc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cc3ccccc3c3c2c2ccc(-c4cccc5ccccc45)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C56H36N2/c1-3-19-40(20-4-1)57(42-31-33-50-48-27-12-11-25-46(48)47-26-13-14-28-49(47)52(50)36-42)54-35-38-17-8-10-24-45(38)56-55(54)51-32-30-39(34-53(51)58(56)41-21-5-2-6-22-41)44-29-15-18-37-16-7-9-23-43(37)44/h1-36H
InChIKeyORVODTUSBUTJRW-UHFFFAOYSA-N
MW736.92 g/mol
LogP15.69
Rot. Bonds5

About 9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine

9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine (PubChem CID 174307600) has the molecular formula C56H36N2 and a molecular weight of 736.92 g/mol. Its IUPAC name is 9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine.

Molecular Properties

Compound Name9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
PubChem CID174307600
Molecular FormulaC56H36N2
Molecular Weight736.92 g/mol
Exact Mass736.29
IUPAC Name9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
SMILESc1ccc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cc3ccccc3c3c2c2ccc(-c4cccc5ccccc45)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C56H36N2/c1-3-19-40(20-4-1)57(42-31-33-50-48-27-12-11-25-46(48)47-26-13-14-28-49(47)52(50)36-42)54-35-38-17-8-10-24-45(38)56-55(54)51-32-30-39(34-53(51)58(56)41-21-5-2-6-22-41)44-29-15-18-37-16-7-9-23-43(37)44/h1-36H
InChIKeyORVODTUSBUTJRW-UHFFFAOYSA-N
XLogP15.69
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.92
LogP ≤ 515.69
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,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174306801
11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307732
N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307494
N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307062
N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307742
11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine
CID 174307151
N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 167195087
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3,5-diphenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 166660632
N-dibenzothiophen-3-yl-8-phenanthren-9-yl-N,11-diphenylbenzo[a]carbazol-6-amine
CID 174307740
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)aniline
CID 168782181
N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
CID 174306559
N-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine
CID 167196384

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine?
The IUPAC name of 9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine (CID 174307600) is 9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine.
What is the SMILES notation for 9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine?
The canonical SMILES for 9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine is c1ccc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cc3ccccc3c3c2c2ccc(-c4cccc5ccccc45)cc2n3-c2ccccc2)cc1.
What is the InChIKey of 9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine?
The InChIKey is ORVODTUSBUTJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2/c1-3-19-40(20-4-1)57(42-31-33-50-48-27-12-11-25-46(48)47-26-13-14-28-49(47)52(50)36-42)54-35-38-17-8-10-24-45(38)56-55(54)51-32-30-39(34-53(51)58(56)41-21-5-2-6-22-41)44-29-15-18-37-16-7-9-23-43(37)44/h1-36H.
What are the key properties of 9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine?
9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine has a molecular weight of 736.92 g/mol, XLogP of 15.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine is sourced from PubChem (CID 174307600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).