N-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine

C29H21NO — CID 126561028

IUPACN-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine
SMILESCc1ccc(Nc2cccc3c2oc2c(-c4ccccc4)cc4ccccc4c23)cc1
InChIInChI=1S/C29H21NO/c1-19-14-16-22(17-15-19)30-26-13-7-12-24-27-23-11-6-5-10-21(23)18-25(29(27)31-28(24)26)20-8-3-2-4-9-20/h2-18,30H,1H3
InChIKeyOCABOQFKJNFEPV-UHFFFAOYSA-N
MW399.49 g/mol
LogP8.46
Rot. Bonds3

About N-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine

N-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 126561028) has the molecular formula C29H21NO and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine
PubChem CID126561028
Molecular FormulaC29H21NO
Molecular Weight399.49 g/mol
Exact Mass399.16
IUPAC NameN-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine
SMILESCc1ccc(Nc2cccc3c2oc2c(-c4ccccc4)cc4ccccc4c23)cc1
InChIInChI=1S/C29H21NO/c1-19-14-16-22(17-15-19)30-26-13-7-12-24-27-23-11-6-5-10-21(23)18-25(29(27)31-28(24)26)20-8-3-2-4-9-20/h2-18,30H,1H3
InChIKeyOCABOQFKJNFEPV-UHFFFAOYSA-N
XLogP8.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 58.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-methylpropyl)-N-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 146579665
N-phenanthren-2-yl-6-phenyldibenzofuran-4-amine
CID 118027817
8-methyl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran
CID 130290646
6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290539
N-(4-methylphenyl)phenanthren-4-amine
CID 122607190
6-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289732
N-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine
CID 150848719
6-cyclohexyl-N-(3-methylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 146579666
6-methyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine
CID 171730649
6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730522
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289864
6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290660

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine (CID 126561028) is N-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine is Cc1ccc(Nc2cccc3c2oc2c(-c4ccccc4)cc4ccccc4c23)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is OCABOQFKJNFEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21NO/c1-19-14-16-22(17-15-19)30-26-13-7-12-24-27-23-11-6-5-10-21(23)18-25(29(27)31-28(24)26)20-8-3-2-4-9-20/h2-18,30H,1H3.
What are the key properties of N-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine?
N-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 399.49 g/mol, XLogP of 8.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 126561028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).