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

C56H37NO — CID 177069853

IUPACN-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4-c4cc5ccccc5c5ccccc45)c4ccc(-c5ccccc5)c5oc6ccccc6c45)cc3)c2)cc1
InChIInChI=1S/C56H37NO/c1-3-16-38(17-4-1)41-21-15-22-42(36-41)39-30-32-44(33-31-39)57(53-35-34-46(40-18-5-2-6-19-40)56-55(53)50-27-12-14-29-54(50)58-56)52-28-13-11-26-49(52)51-37-43-20-7-8-23-45(43)47-24-9-10-25-48(47)51/h1-37H
InChIKeyCTWHQFFSZRXRLG-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

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

N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 177069853) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID177069853
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4-c4cc5ccccc5c5ccccc45)c4ccc(-c5ccccc5)c5oc6ccccc6c45)cc3)c2)cc1
InChIInChI=1S/C56H37NO/c1-3-16-38(17-4-1)41-21-15-22-42(36-41)39-30-32-44(33-31-39)57(53-35-34-46(40-18-5-2-6-19-40)56-55(53)50-27-12-14-29-54(50)58-56)52-28-13-11-26-49(52)51-37-43-20-7-8-23-45(43)47-24-9-10-25-48(47)51/h1-37H
InChIKeyCTWHQFFSZRXRLG-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-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069317
4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069852
N-(3-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069616
N-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069217
N-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069363
4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069341
N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820432
4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069864
N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176820885
4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069305
N-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069460
N-phenanthren-2-yl-N-(2-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820810

Frequently Asked Questions

What is the IUPAC name of N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 177069853) is N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2cccc(-c3ccc(N(c4ccccc4-c4cc5ccccc5c5ccccc45)c4ccc(-c5ccccc5)c5oc6ccccc6c45)cc3)c2)cc1.
What is the InChIKey of N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is CTWHQFFSZRXRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-3-16-38(17-4-1)41-21-15-22-42(36-41)39-30-32-44(33-31-39)57(53-35-34-46(40-18-5-2-6-19-40)56-55(53)50-27-12-14-29-54(50)58-56)52-28-13-11-26-49(52)51-37-43-20-7-8-23-45(43)47-24-9-10-25-48(47)51/h1-37H.
What are the key properties of N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-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 N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 177069853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).