N-(4-bromophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine

C34H22BrNO — CID 126702748

IUPACN-(4-bromophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
SMILESBrc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C34H22BrNO/c35-27-15-19-29(20-16-27)36(28-17-13-24(14-18-28)23-7-2-1-3-8-23)32-12-6-11-30-31-21-25-9-4-5-10-26(25)22-33(31)37-34(30)32/h1-22H
InChIKeyWBOIDNPCFVXZKN-UHFFFAOYSA-N
MW540.46 g/mol
LogP10.64
Rot. Bonds4

About N-(4-bromophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine

N-(4-bromophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine (PubChem CID 126702748) has the molecular formula C34H22BrNO and a molecular weight of 540.46 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
PubChem CID126702748
Molecular FormulaC34H22BrNO
Molecular Weight540.46 g/mol
Exact Mass539.09
IUPAC NameN-(4-bromophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
SMILESBrc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C34H22BrNO/c35-27-15-19-29(20-16-27)36(28-17-13-24(14-18-28)23-7-2-1-3-8-23)32-12-6-11-30-31-21-25-9-4-5-10-26(25)22-33(31)37-34(30)32/h1-22H
InChIKeyWBOIDNPCFVXZKN-UHFFFAOYSA-N
XLogP10.64
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.46
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
The IUPAC name of N-(4-bromophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine (CID 126702748) is N-(4-bromophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
The canonical SMILES for N-(4-bromophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine is Brc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2oc2cc4ccccc4cc23)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
The InChIKey is WBOIDNPCFVXZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22BrNO/c35-27-15-19-29(20-16-27)36(28-17-13-24(14-18-28)23-7-2-1-3-8-23)32-12-6-11-30-31-21-25-9-4-5-10-26(25)22-33(31)37-34(30)32/h1-22H.
What are the key properties of N-(4-bromophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
N-(4-bromophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine has a molecular weight of 540.46 g/mol, XLogP of 10.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine is sourced from PubChem (CID 126702748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).