N,9-diphenyldibenzofuran-3-amine

C24H17NO — CID 156790002

IUPACN,9-diphenyldibenzofuran-3-amine
SMILESc1ccc(Nc2ccc3c(c2)oc2cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C24H17NO/c1-3-8-17(9-4-1)20-12-7-13-22-24(20)21-15-14-19(16-23(21)26-22)25-18-10-5-2-6-11-18/h1-16,25H
InChIKeyNVGXDKJUJDCRCD-UHFFFAOYSA-N
MW335.41 g/mol
LogP7.00
Rot. Bonds3

About N,9-diphenyldibenzofuran-3-amine

N,9-diphenyldibenzofuran-3-amine (PubChem CID 156790002) has the molecular formula C24H17NO and a molecular weight of 335.41 g/mol. Its IUPAC name is N,9-diphenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN,9-diphenyldibenzofuran-3-amine
PubChem CID156790002
Molecular FormulaC24H17NO
Molecular Weight335.41 g/mol
Exact Mass335.13
IUPAC NameN,9-diphenyldibenzofuran-3-amine
SMILESc1ccc(Nc2ccc3c(c2)oc2cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C24H17NO/c1-3-8-17(9-4-1)20-12-7-13-22-24(20)21-15-14-19(16-23(21)26-22)25-18-10-5-2-6-11-18/h1-16,25H
InChIKeyNVGXDKJUJDCRCD-UHFFFAOYSA-N
XLogP7.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,9-diphenyldibenzofuran-3-amine?
The IUPAC name of N,9-diphenyldibenzofuran-3-amine (CID 156790002) is N,9-diphenyldibenzofuran-3-amine.
What is the SMILES notation for N,9-diphenyldibenzofuran-3-amine?
The canonical SMILES for N,9-diphenyldibenzofuran-3-amine is c1ccc(Nc2ccc3c(c2)oc2cccc(-c4ccccc4)c23)cc1.
What is the InChIKey of N,9-diphenyldibenzofuran-3-amine?
The InChIKey is NVGXDKJUJDCRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO/c1-3-8-17(9-4-1)20-12-7-13-22-24(20)21-15-14-19(16-23(21)26-22)25-18-10-5-2-6-11-18/h1-16,25H.
What are the key properties of N,9-diphenyldibenzofuran-3-amine?
N,9-diphenyldibenzofuran-3-amine has a molecular weight of 335.41 g/mol, XLogP of 7.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyldibenzofuran-3-amine is sourced from PubChem (CID 156790002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).