12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine

C58H38N2O — CID 170377332

IUPAC12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c5c(-c6ccc7ccccc7c6)c6c(cc5n(-c5ccccc5)c34)oc3ccccc36)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-16-39(17-5-1)42-32-34-47(35-33-42)59(48-25-14-22-44(37-48)40-18-6-2-7-19-40)51-28-15-27-50-56-52(60(58(50)51)46-23-8-3-9-24-46)38-54-57(49-26-12-13-29-53(49)61-54)55(56)45-31-30-41-20-10-11-21-43(41)36-45/h1-38H
InChIKeyOUBVXOXEEJOROD-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

About 12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine

12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine (PubChem CID 170377332) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is 12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine.

Molecular Properties

Compound Name12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine
PubChem CID170377332
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC Name12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c5c(-c6ccc7ccccc7c6)c6c(cc5n(-c5ccccc5)c34)oc3ccccc36)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-16-39(17-5-1)42-32-34-47(35-33-42)59(48-25-14-22-44(37-48)40-18-6-2-7-19-40)51-28-15-27-50-56-52(60(58(50)51)46-23-8-3-9-24-46)38-54-57(49-26-12-13-29-53(49)61-54)55(56)45-31-30-41-20-10-11-21-43(41)36-45/h1-38H
InChIKeyOUBVXOXEEJOROD-UHFFFAOYSA-N
XLogP16.31
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine
CID 170376840
N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine
CID 170377335
12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377401
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170033639
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170034219
N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine
CID 170369620
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605841
4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline
CID 170376628
N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170369705
N-(3,5-diphenylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 167324369
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100

Frequently Asked Questions

What is the IUPAC name of 12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine?
The IUPAC name of 12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine (CID 170377332) is 12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine.
What is the SMILES notation for 12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine?
The canonical SMILES for 12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c5c(-c6ccc7ccccc7c6)c6c(cc5n(-c5ccccc5)c34)oc3ccccc36)cc2)cc1.
What is the InChIKey of 12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine?
The InChIKey is OUBVXOXEEJOROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-4-16-39(17-5-1)42-32-34-47(35-33-42)59(48-25-14-22-44(37-48)40-18-6-2-7-19-40)51-28-15-27-50-56-52(60(58(50)51)46-23-8-3-9-24-46)38-54-57(49-26-12-13-29-53(49)61-54)55(56)45-31-30-41-20-10-11-21-43(41)36-45/h1-38H.
What are the key properties of 12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine?
12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine has a molecular weight of 778.96 g/mol, XLogP of 16.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine is sourced from PubChem (CID 170377332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).