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

C64H41NO — CID 177069719

IUPAC4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C64H41NO/c1-2-14-42(15-3-1)43-28-30-44(31-29-43)47-18-12-19-50(40-47)65(61-39-38-58(52-26-13-17-46-16-4-5-20-51(46)52)64-63(61)59-25-10-11-27-62(59)66-64)49-35-32-45(33-36-49)48-34-37-57-55-23-7-6-21-53(55)54-22-8-9-24-56(54)60(57)41-48/h1-41H
InChIKeyWSCGPUGJFCOTGD-UHFFFAOYSA-N
MW840.04 g/mol
LogP18.34
Rot. Bonds7

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

4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine (PubChem CID 177069719) has the molecular formula C64H41NO and a molecular weight of 840.04 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
PubChem CID177069719
Molecular FormulaC64H41NO
Molecular Weight840.04 g/mol
Exact Mass839.32
IUPAC Name4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C64H41NO/c1-2-14-42(15-3-1)43-28-30-44(31-29-43)47-18-12-19-50(40-47)65(61-39-38-58(52-26-13-17-46-16-4-5-20-51(46)52)64-63(61)59-25-10-11-27-62(59)66-64)49-35-32-45(33-36-49)48-34-37-57-55-23-7-6-21-53(55)54-22-8-9-24-56(54)60(57)41-48/h1-41H
InChIKeyWSCGPUGJFCOTGD-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-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069623
4-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069895
4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine
CID 176820935
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
4-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069229
4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069796
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
4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069305
N-phenanthren-2-yl-N-(3-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821033
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine
CID 176820794
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 4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine (CID 177069719) is 4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)c3)cc2)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The InChIKey is WSCGPUGJFCOTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NO/c1-2-14-42(15-3-1)43-28-30-44(31-29-43)47-18-12-19-50(40-47)65(61-39-38-58(52-26-13-17-46-16-4-5-20-51(46)52)64-63(61)59-25-10-11-27-62(59)66-64)49-35-32-45(33-36-49)48-34-37-57-55-23-7-6-21-53(55)54-22-8-9-24-56(54)60(57)41-48/h1-41H.
What are the key properties of 4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
4-naphthalen-1-yl-N-[3-(4-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-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 177069719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).