4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine

C56H37NO — CID 177069305

IUPAC4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4-c4ccccc4)c3)c3ccc(-c4cc5ccccc5c5ccccc45)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C56H37NO/c1-3-16-38(17-4-1)39-30-32-43(33-31-39)57(44-22-15-21-41(36-44)46-24-10-9-23-45(46)40-18-5-2-6-19-40)53-35-34-50(56-55(53)51-28-13-14-29-54(51)58-56)52-37-42-20-7-8-25-47(42)48-26-11-12-27-49(48)52/h1-37H
InChIKeyPVKQQIGZEZBWKC-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About 4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine

4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 177069305) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is 4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound Name4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID177069305
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC Name4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4-c4ccccc4)c3)c3ccc(-c4cc5ccccc5c5ccccc45)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C56H37NO/c1-3-16-38(17-4-1)39-30-32-43(33-31-39)57(44-22-15-21-41(36-44)46-24-10-9-23-45(46)40-18-5-2-6-19-40)53-35-34-50(56-55(53)51-28-13-14-29-54(51)58-56)52-37-42-20-7-8-25-47(42)48-26-11-12-27-49(48)52/h1-37H
InChIKeyPVKQQIGZEZBWKC-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

N-(3-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069616
4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069852
N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069853
N-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069317
4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069719
N-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069460
N-phenanthren-2-yl-N-(3-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821033
N-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069363
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167234646
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820785
4-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069623

Frequently Asked Questions

What is the IUPAC name of 4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of 4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 177069305) is 4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for 4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for 4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4-c4ccccc4)c3)c3ccc(-c4cc5ccccc5c5ccccc45)c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of 4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is PVKQQIGZEZBWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-3-16-38(17-4-1)39-30-32-43(33-31-39)57(44-22-15-21-41(36-44)46-24-10-9-23-45(46)40-18-5-2-6-19-40)53-35-34-50(56-55(53)51-28-13-14-29-54(51)58-56)52-37-42-20-7-8-25-47(42)48-26-11-12-27-49(48)52/h1-37H.
What are the key properties of 4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-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 4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 177069305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).