9-phenyl-N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]carbazol-2-amine

C58H38N2O — CID 167143325

IUPAC9-phenyl-N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]carbazol-2-amine
SMILESc1ccc(-c2ccc(-c3cccc4c3oc3c5ccccc5c(N(c5cccc(-c6ccccc6)c5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-16-39(17-5-1)41-30-32-42(33-31-41)47-27-15-28-52-53-38-56(49-25-10-11-26-51(49)58(53)61-57(47)52)59(45-23-14-20-43(36-45)40-18-6-2-7-19-40)46-34-35-50-48-24-12-13-29-54(48)60(55(50)37-46)44-21-8-3-9-22-44/h1-38H
InChIKeyQBYXUEKGEQOJED-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

About 9-phenyl-N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]carbazol-2-amine

9-phenyl-N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]carbazol-2-amine (PubChem CID 167143325) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is 9-phenyl-N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]carbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]carbazol-2-amine
PubChem CID167143325
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC Name9-phenyl-N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]carbazol-2-amine
SMILESc1ccc(-c2ccc(-c3cccc4c3oc3c5ccccc5c(N(c5cccc(-c6ccccc6)c5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-16-39(17-5-1)41-30-32-42(33-31-41)47-27-15-28-52-53-38-56(49-25-10-11-26-51(49)58(53)61-57(47)52)59(45-23-14-20-43(36-45)40-18-6-2-7-19-40)46-34-35-50-48-24-12-13-29-54(48)60(55(50)37-46)44-21-8-3-9-22-44/h1-38H
InChIKeyQBYXUEKGEQOJED-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

N-(4-carbazol-9-ylphenyl)-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 167143326
N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 167277934
N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-4-yl)-N-(3-phenylphenyl)aniline
CID 139544676
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814481
9-phenyl-N-(9-phenylcarbazol-4-yl)-N-(6-phenyldibenzofuran-4-yl)carbazol-2-amine
CID 170286483
N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-4-amine
CID 167277947
N,9-diphenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]carbazol-2-amine
CID 167402090
N-(4-phenanthren-2-ylphenyl)-10-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144378
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90125897
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-9-[2-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 164971651
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118640922

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]carbazol-2-amine?
The IUPAC name of 9-phenyl-N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]carbazol-2-amine (CID 167143325) is 9-phenyl-N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]carbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]carbazol-2-amine?
The canonical SMILES for 9-phenyl-N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]carbazol-2-amine is c1ccc(-c2ccc(-c3cccc4c3oc3c5ccccc5c(N(c5cccc(-c6ccccc6)c5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)cc2)cc1.
What is the InChIKey of 9-phenyl-N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]carbazol-2-amine?
The InChIKey is QBYXUEKGEQOJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-4-16-39(17-5-1)41-30-32-42(33-31-41)47-27-15-28-52-53-38-56(49-25-10-11-26-51(49)58(53)61-57(47)52)59(45-23-14-20-43(36-45)40-18-6-2-7-19-40)46-34-35-50-48-24-12-13-29-54(48)60(55(50)37-46)44-21-8-3-9-22-44/h1-38H.
What are the key properties of 9-phenyl-N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]carbazol-2-amine?
9-phenyl-N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]carbazol-2-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 9-phenyl-N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]carbazol-2-amine is sourced from PubChem (CID 167143325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).