1-(2,4-diphenylphenyl)-N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-2-amine

C56H37NO — CID 177281262

IUPAC1-(2,4-diphenylphenyl)-N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3-c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C56H37NO/c1-4-14-38(15-5-1)40-26-30-45(31-27-40)57(46-32-28-43-25-24-42-20-10-11-21-47(42)51(43)37-46)52-34-35-54-56(49-22-12-13-23-53(49)58-54)55(52)48-33-29-44(39-16-6-2-7-17-39)36-50(48)41-18-8-3-9-19-41/h1-37H
InChIKeyPFEBZLWVGCDBLE-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About 1-(2,4-diphenylphenyl)-N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-2-amine

1-(2,4-diphenylphenyl)-N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 177281262) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is 1-(2,4-diphenylphenyl)-N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name1-(2,4-diphenylphenyl)-N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID177281262
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC Name1-(2,4-diphenylphenyl)-N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3-c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C56H37NO/c1-4-14-38(15-5-1)40-26-30-45(31-27-40)57(46-32-28-43-25-24-42-20-10-11-21-47(42)51(43)37-46)52-34-35-54-56(49-22-12-13-23-53(49)58-54)55(52)48-33-29-44(39-16-6-2-7-17-39)36-50(48)41-18-8-3-9-19-41/h1-37H
InChIKeyPFEBZLWVGCDBLE-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 516.03
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

1-(2,4-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281004
N-(3,4-diphenylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281275
1-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280903
N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 176820694
N-[4-(3,4-diphenylphenyl)phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177128275
N-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281306
N-phenanthren-3-yl-1-(4-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 176820600
1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177281230
N,N-bis(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)dibenzofuran-2-amine
CID 177281391
N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167233976
N-(4-dibenzofuran-3-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502132
N-[4-(4-phenylphenyl)phenyl]-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502864

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diphenylphenyl)-N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 1-(2,4-diphenylphenyl)-N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 177281262) is 1-(2,4-diphenylphenyl)-N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 1-(2,4-diphenylphenyl)-N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 1-(2,4-diphenylphenyl)-N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3-c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-(2,4-diphenylphenyl)-N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is PFEBZLWVGCDBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-4-14-38(15-5-1)40-26-30-45(31-27-40)57(46-32-28-43-25-24-42-20-10-11-21-47(42)51(43)37-46)52-34-35-54-56(49-22-12-13-23-53(49)58-54)55(52)48-33-29-44(39-16-6-2-7-17-39)36-50(48)41-18-8-3-9-19-41/h1-37H.
What are the key properties of 1-(2,4-diphenylphenyl)-N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
1-(2,4-diphenylphenyl)-N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 739.92 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diphenylphenyl)-N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 177281262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).