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

C62H41NO — CID 177069217

IUPACN-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3ccc(-c4cc5ccccc5c5ccccc45)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C62H41NO/c1-4-18-42(19-5-1)44-32-34-46(35-33-44)50-26-14-16-30-57(50)63(58-38-36-47(43-20-6-2-7-21-43)40-55(58)45-22-8-3-9-23-45)59-39-37-53(62-61(59)54-29-15-17-31-60(54)64-62)56-41-48-24-10-11-25-49(48)51-27-12-13-28-52(51)56/h1-41H
InChIKeyPVZYQQYSHPPHOY-UHFFFAOYSA-N
MW816.02 g/mol
LogP17.70
Rot. Bonds8

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

N-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 177069217) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID177069217
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC NameN-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3ccc(-c4cc5ccccc5c5ccccc45)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C62H41NO/c1-4-18-42(19-5-1)44-32-34-46(35-33-44)50-26-14-16-30-57(50)63(58-38-36-47(43-20-6-2-7-21-43)40-55(58)45-22-8-3-9-23-45)59-39-37-53(62-61(59)54-29-15-17-31-60(54)64-62)56-41-48-24-10-11-25-49(48)51-27-12-13-28-52(51)56/h1-41H
InChIKeyPVZYQQYSHPPHOY-UHFFFAOYSA-N
XLogP17.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 517.70
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
N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069853
4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069852
N-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069363
4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069796
4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069305
N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069373
N-(2,5-diphenylphenyl)-N-phenanthren-1-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820901
N-phenanthren-2-yl-N-(2-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820810
N-(2,4-diphenylphenyl)-N-phenanthren-2-yl-4-phenyldibenzofuran-1-amine
CID 176820607
4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine
CID 167087184
N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820707

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 177069217) is N-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3ccc(-c4cc5ccccc5c5ccccc45)c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is PVZYQQYSHPPHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-4-18-42(19-5-1)44-32-34-46(35-33-44)50-26-14-16-30-57(50)63(58-38-36-47(43-20-6-2-7-21-43)40-55(58)45-22-8-3-9-23-45)59-39-37-53(62-61(59)54-29-15-17-31-60(54)64-62)56-41-48-24-10-11-25-49(48)51-27-12-13-28-52(51)56/h1-41H.
What are the key properties of N-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
N-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 816.02 g/mol, XLogP of 17.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 177069217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).