N-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine

C25H19NO — CID 155041103

IUPACN-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESCN(c1cccc(-c2ccccc2)c1)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C25H19NO/c1-26(20-11-7-10-19(16-20)18-8-3-2-4-9-18)21-14-15-23-22-12-5-6-13-24(22)27-25(23)17-21/h2-17H,1H3
InChIKeyWTESSVWDVZCAOQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP7.02
Rot. Bonds3

About N-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine

N-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine (PubChem CID 155041103) has the molecular formula C25H19NO and a molecular weight of 349.43 g/mol. Its IUPAC name is N-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine
PubChem CID155041103
Molecular FormulaC25H19NO
Molecular Weight349.43 g/mol
Exact Mass349.15
IUPAC NameN-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESCN(c1cccc(-c2ccccc2)c1)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C25H19NO/c1-26(20-11-7-10-19(16-20)18-8-3-2-4-9-18)21-14-15-23-22-12-5-6-13-24(22)27-25(23)17-21/h2-17H,1H3
InChIKeyWTESSVWDVZCAOQ-UHFFFAOYSA-N
XLogP7.02
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine (CID 155041103) is N-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine is CN(c1cccc(-c2ccccc2)c1)c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is WTESSVWDVZCAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO/c1-26(20-11-7-10-19(16-20)18-8-3-2-4-9-18)21-14-15-23-22-12-5-6-13-24(22)27-25(23)17-21/h2-17H,1H3.
What are the key properties of N-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine?
N-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 349.43 g/mol, XLogP of 7.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 155041103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).