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

C64H41NO — CID 177069399

IUPAC4-naphthalen-2-yl-N-[2-(2-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)c2ccc(-c3ccc4ccccc4c3)c3oc4ccccc4c23)cc1
InChIInChI=1S/C64H41NO/c1-2-18-43(19-3-1)49-23-6-7-24-51(49)57-29-12-14-31-60(57)65(61-38-37-50(47-34-33-42-17-4-5-20-44(42)39-47)64-63(61)58-30-13-15-32-62(58)66-64)48-22-16-21-45(40-48)46-35-36-56-54-27-9-8-25-52(54)53-26-10-11-28-55(53)59(56)41-46/h1-41H
InChIKeyLRAWSNCFZQJRFA-UHFFFAOYSA-N
MW840.04 g/mol
LogP18.34
Rot. Bonds7

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

4-naphthalen-2-yl-N-[2-(2-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine (PubChem CID 177069399) has the molecular formula C64H41NO and a molecular weight of 840.04 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-[2-(2-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-[2-(2-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
PubChem CID177069399
Molecular FormulaC64H41NO
Molecular Weight840.04 g/mol
Exact Mass839.32
IUPAC Name4-naphthalen-2-yl-N-[2-(2-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)c2ccc(-c3ccc4ccccc4c3)c3oc4ccccc4c23)cc1
InChIInChI=1S/C64H41NO/c1-2-18-43(19-3-1)49-23-6-7-24-51(49)57-29-12-14-31-60(57)65(61-38-37-50(47-34-33-42-17-4-5-20-44(42)39-47)64-63(61)58-30-13-15-32-62(58)66-64)48-22-16-21-45(40-48)46-35-36-56-54-27-9-8-25-52(54)53-26-10-11-28-55(53)59(56)41-46/h1-41H
InChIKeyLRAWSNCFZQJRFA-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'}

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Related Compounds

4-naphthalen-2-yl-N-[3-(2-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069190
4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069277
4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069453
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
4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069864
4-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069235
4-naphthalen-2-yl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069783
4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069341
4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069852
4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069338
N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501519

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-[2-(2-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-naphthalen-2-yl-N-[2-(2-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine (CID 177069399) is 4-naphthalen-2-yl-N-[2-(2-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-naphthalen-2-yl-N-[2-(2-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-naphthalen-2-yl-N-[2-(2-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccccc2-c2ccccc2N(c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)c2ccc(-c3ccc4ccccc4c3)c3oc4ccccc4c23)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N-[2-(2-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The InChIKey is LRAWSNCFZQJRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NO/c1-2-18-43(19-3-1)49-23-6-7-24-51(49)57-29-12-14-31-60(57)65(61-38-37-50(47-34-33-42-17-4-5-20-44(42)39-47)64-63(61)58-30-13-15-32-62(58)66-64)48-22-16-21-45(40-48)46-35-36-56-54-27-9-8-25-52(54)53-26-10-11-28-55(53)59(56)41-46/h1-41H.
What are the key properties of 4-naphthalen-2-yl-N-[2-(2-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
4-naphthalen-2-yl-N-[2-(2-phenylphenyl)phenyl]-N-(3-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-(2-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 177069399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).