1-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

C36H24BrNO — CID 118107866

IUPAC1-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESBrc1ccc(-c2ccc(-c3ccc(Nc4ccc(-c5ccccc5)cc4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C36H24BrNO/c37-29-18-14-26(15-19-29)25-10-12-28(13-11-25)31-22-23-33(36-35(31)32-8-4-5-9-34(32)39-36)38-30-20-16-27(17-21-30)24-6-2-1-3-7-24/h1-23,38H
InChIKeyBSOAYWBDOPAEMD-UHFFFAOYSA-N
MW566.50 g/mol
LogP11.09
Rot. Bonds5

About 1-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

1-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 118107866) has the molecular formula C36H24BrNO and a molecular weight of 566.50 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID118107866
Molecular FormulaC36H24BrNO
Molecular Weight566.50 g/mol
Exact Mass565.10
IUPAC Name1-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESBrc1ccc(-c2ccc(-c3ccc(Nc4ccc(-c5ccccc5)cc4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C36H24BrNO/c37-29-18-14-26(15-19-29)25-10-12-28(13-11-25)31-22-23-33(36-35(31)32-8-4-5-9-34(32)39-36)38-30-20-16-27(17-21-30)24-6-2-1-3-7-24/h1-23,38H
InChIKeyBSOAYWBDOPAEMD-UHFFFAOYSA-N
XLogP11.09
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.50
LogP ≤ 511.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of 1-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 118107866) is 1-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 1-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 1-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is Brc1ccc(-c2ccc(-c3ccc(Nc4ccc(-c5ccccc5)cc4)c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of 1-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is BSOAYWBDOPAEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24BrNO/c37-29-18-14-26(15-19-29)25-10-12-28(13-11-25)31-22-23-33(36-35(31)32-8-4-5-9-34(32)39-36)38-30-20-16-27(17-21-30)24-6-2-1-3-7-24/h1-23,38H.
What are the key properties of 1-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
1-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 566.50 g/mol, XLogP of 11.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 118107866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).