4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine

C64H41NO — CID 177069453

IUPAC4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3ccccc3N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3ccc(-c4ccc5ccccc5c4)c4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C64H41NO/c1-2-15-42(16-3-1)46-19-14-20-48(39-46)51-21-10-12-27-60(51)65(61-38-37-52(49-30-29-43-17-4-5-18-45(43)40-49)64-63(61)58-26-11-13-28-62(58)66-64)50-34-31-44(32-35-50)47-33-36-57-55-24-7-6-22-53(55)54-23-8-9-25-56(54)59(57)41-47/h1-41H
InChIKeyXPYCLAKSVJSLOZ-UHFFFAOYSA-N
MW840.04 g/mol
LogP18.34
Rot. Bonds7

About 4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine

4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine (PubChem CID 177069453) has the molecular formula C64H41NO and a molecular weight of 840.04 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
PubChem CID177069453
Molecular FormulaC64H41NO
Molecular Weight840.04 g/mol
Exact Mass839.32
IUPAC Name4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3ccccc3N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3ccc(-c4ccc5ccccc5c4)c4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C64H41NO/c1-2-15-42(16-3-1)46-19-14-20-48(39-46)51-21-10-12-27-60(51)65(61-38-37-52(49-30-29-43-17-4-5-18-45(43)40-49)64-63(61)58-26-11-13-28-62(58)66-64)50-34-31-44(32-35-50)47-33-36-57-55-24-7-6-22-53(55)54-23-8-9-25-56(54)59(57)41-47/h1-41H
InChIKeyXPYCLAKSVJSLOZ-UHFFFAOYSA-N
XLogP18.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.04
LogP ≤ 518.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069341
4-naphthalen-2-yl-N-[3-(2-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069190
4-naphthalen-2-yl-N-[2-(2-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069399
4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069277
4-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069229
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069663
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069839
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzofuran-1-amine
CID 168847734
N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069853
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566139
4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069342
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847972

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine (CID 177069453) is 4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine is c1ccc(-c2cccc(-c3ccccc3N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3ccc(-c4ccc5ccccc5c4)c4oc5ccccc5c34)c2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The InChIKey is XPYCLAKSVJSLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NO/c1-2-15-42(16-3-1)46-19-14-20-48(39-46)51-21-10-12-27-60(51)65(61-38-37-52(49-30-29-43-17-4-5-18-45(43)40-49)64-63(61)58-26-11-13-28-62(58)66-64)50-34-31-44(32-35-50)47-33-36-57-55-24-7-6-22-53(55)54-23-8-9-25-56(54)59(57)41-47/h1-41H.
What are the key properties of 4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine has a molecular weight of 840.04 g/mol, XLogP of 18.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 177069453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).