4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine

C58H38N2O — CID 176608759

IUPAC4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C58H38N2O/c1-2-16-39(17-3-1)42-20-14-22-45(37-42)59(46-23-15-21-43(38-46)44-33-32-40-18-4-5-19-41(40)36-44)55-35-34-50(58-57(55)51-27-9-13-31-56(51)61-58)49-26-8-12-30-54(49)60-52-28-10-6-24-47(52)48-25-7-11-29-53(48)60/h1-38H
InChIKeyHGOGOCKGEDGCIQ-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

About 4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine

4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine (PubChem CID 176608759) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
PubChem CID176608759
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C58H38N2O/c1-2-16-39(17-3-1)42-20-14-22-45(37-42)59(46-23-15-21-43(38-46)44-33-32-40-18-4-5-19-41(40)36-44)55-35-34-50(58-57(55)51-27-9-13-31-56(51)61-58)49-26-8-12-30-54(49)60-52-28-10-6-24-47(52)48-25-7-11-29-53(48)60/h1-38H
InChIKeyHGOGOCKGEDGCIQ-UHFFFAOYSA-N
XLogP16.31
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine (CID 176608759) is 4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2cccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c4oc5ccccc5c34)c2)cc1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is HGOGOCKGEDGCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-2-16-39(17-3-1)42-20-14-22-45(37-42)59(46-23-15-21-43(38-46)44-33-32-40-18-4-5-19-41(40)36-44)55-35-34-50(58-57(55)51-27-9-13-31-56(51)61-58)49-26-8-12-30-54(49)60-52-28-10-6-24-47(52)48-25-7-11-29-53(48)60/h1-38H.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine?
4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 778.96 g/mol, XLogP of 16.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176608759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).