N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine

C56H37NO — CID 176820885

IUPACN-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(N(c4cccc5c4ccc4ccccc45)c4ccc(-c5ccccc5)c5oc6ccccc6c45)cc3)c2)cc1
InChIInChI=1S/C56H37NO/c1-4-15-38(16-5-1)43-30-33-46(39-17-6-2-7-18-39)51(37-43)42-27-31-44(32-28-42)57(52-25-14-24-48-45-22-11-10-21-41(45)29-34-49(48)52)53-36-35-47(40-19-8-3-9-20-40)56-55(53)50-23-12-13-26-54(50)58-56/h1-37H
InChIKeyOMLMTNZUJABDEV-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine

N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine (PubChem CID 176820885) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
PubChem CID176820885
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(N(c4cccc5c4ccc4ccccc45)c4ccc(-c5ccccc5)c5oc6ccccc6c45)cc3)c2)cc1
InChIInChI=1S/C56H37NO/c1-4-15-38(16-5-1)43-30-33-46(39-17-6-2-7-18-39)51(37-43)42-27-31-44(32-28-42)57(52-25-14-24-48-45-22-11-10-21-41(45)29-34-49(48)52)53-36-35-47(40-19-8-3-9-20-40)56-55(53)50-23-12-13-26-54(50)58-56/h1-37H
InChIKeyOMLMTNZUJABDEV-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-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820707
N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820432
N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821447
N-(2,5-diphenylphenyl)-N-phenanthren-1-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820901
N-(2,4-diphenylphenyl)-N-phenanthren-2-yl-4-phenyldibenzofuran-1-amine
CID 176820607
N-phenanthren-2-yl-N-phenanthren-9-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820506
N-phenanthren-2-yl-N-phenanthren-4-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821172
N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069853
N-phenanthren-1-yl-N-(6-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820912
N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821060
N-phenanthren-2-yl-N-(2-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820810
N-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069460

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine?
The IUPAC name of N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine (CID 176820885) is N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine?
The canonical SMILES for N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(N(c4cccc5c4ccc4ccccc45)c4ccc(-c5ccccc5)c5oc6ccccc6c45)cc3)c2)cc1.
What is the InChIKey of N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine?
The InChIKey is OMLMTNZUJABDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-4-15-38(16-5-1)43-30-33-46(39-17-6-2-7-18-39)51(37-43)42-27-31-44(32-28-42)57(52-25-14-24-48-45-22-11-10-21-41(45)29-34-49(48)52)53-36-35-47(40-19-8-3-9-20-40)56-55(53)50-23-12-13-26-54(50)58-56/h1-37H.
What are the key properties of N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine?
N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-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-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine is sourced from PubChem (CID 176820885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).