N-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine

C36H25NO — CID 121287858

IUPACN-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C36H25NO/c1-4-13-26(14-5-1)30-20-12-21-31(27-15-6-2-7-16-27)36(30)37(28-17-8-3-9-18-28)29-23-24-33-32-19-10-11-22-34(32)38-35(33)25-29/h1-25H
InChIKeyUDBQEWSEPBWJIW-UHFFFAOYSA-N
MW487.60 g/mol
LogP10.39
Rot. Bonds5

About N-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine

N-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine (PubChem CID 121287858) has the molecular formula C36H25NO and a molecular weight of 487.60 g/mol. Its IUPAC name is N-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine
PubChem CID121287858
Molecular FormulaC36H25NO
Molecular Weight487.60 g/mol
Exact Mass487.19
IUPAC NameN-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C36H25NO/c1-4-13-26(14-5-1)30-20-12-21-31(27-15-6-2-7-16-27)36(30)37(28-17-8-3-9-18-28)29-23-24-33-32-19-10-11-22-34(32)38-35(33)25-29/h1-25H
InChIKeyUDBQEWSEPBWJIW-UHFFFAOYSA-N
XLogP10.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine?
The IUPAC name of N-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine (CID 121287858) is N-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine?
The canonical SMILES for N-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine is c1ccc(-c2cccc(-c3ccccc3)c2N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine?
The InChIKey is UDBQEWSEPBWJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25NO/c1-4-13-26(14-5-1)30-20-12-21-31(27-15-6-2-7-16-27)36(30)37(28-17-8-3-9-18-28)29-23-24-33-32-19-10-11-22-34(32)38-35(33)25-29/h1-25H.
What are the key properties of N-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine?
N-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine has a molecular weight of 487.60 g/mol, XLogP of 10.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 121287858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).