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

C64H41NO — CID 177069229

IUPAC4-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3cccc(N(c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c4ccc(-c5ccc6ccccc6c5)c5oc6ccccc6c45)c3)c2)cc1
InChIInChI=1S/C64H41NO/c1-2-15-42(16-3-1)45-19-12-20-46(37-45)47-21-13-23-51(39-47)65(61-36-35-53(50-32-31-43-17-4-5-18-44(43)38-50)64-63(61)59-29-10-11-30-62(59)66-64)52-24-14-22-48(40-52)49-33-34-58-56-27-7-6-25-54(56)55-26-8-9-28-57(55)60(58)41-49/h1-41H
InChIKeyVPVGEQBEUGKXQK-UHFFFAOYSA-N
MW840.04 g/mol
LogP18.34
Rot. Bonds7

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

4-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine (PubChem CID 177069229) has the molecular formula C64H41NO and a molecular weight of 840.04 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
PubChem CID177069229
Molecular FormulaC64H41NO
Molecular Weight840.04 g/mol
Exact Mass839.32
IUPAC Name4-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3cccc(N(c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c4ccc(-c5ccc6ccccc6c5)c5oc6ccccc6c45)c3)c2)cc1
InChIInChI=1S/C64H41NO/c1-2-15-42(16-3-1)45-19-12-20-46(37-45)47-21-13-23-51(39-47)65(61-36-35-53(50-32-31-43-17-4-5-18-44(43)38-50)64-63(61)59-29-10-11-30-62(59)66-64)52-24-14-22-48(40-52)49-33-34-58-56-27-7-6-25-54(56)55-26-8-9-28-57(55)60(58)41-49/h1-41H
InChIKeyVPVGEQBEUGKXQK-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-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069783
4-naphthalen-2-yl-N-[2-(2-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069399
4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069453
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069839
4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069342
4-naphthalen-2-yl-N-[3-(2-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069190
4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069338
4-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069895
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-naphthalen-1-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069235
4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069719
N-(3-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069616

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine (CID 177069229) is 4-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine is c1ccc(-c2cccc(-c3cccc(N(c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c4ccc(-c5ccc6ccccc6c5)c5oc6ccccc6c45)c3)c2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The InChIKey is VPVGEQBEUGKXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NO/c1-2-15-42(16-3-1)45-19-12-20-46(37-45)47-21-13-23-51(39-47)65(61-36-35-53(50-32-31-43-17-4-5-18-44(43)38-50)64-63(61)59-29-10-11-30-62(59)66-64)52-24-14-22-48(40-52)49-33-34-58-56-27-7-6-25-54(56)55-26-8-9-28-57(55)60(58)41-49/h1-41H.
What are the key properties of 4-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
4-naphthalen-2-yl-N-[3-(3-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-[3-(3-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 177069229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).