2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine

C43H28N2O2 — CID 167124553

IUPAC2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5ccc6nc(-c7ccccc7)oc6c5c4c3)cc2)cc1
InChIInChI=1S/C43H28N2O2/c1-4-11-29(12-5-1)31-19-21-34(22-20-31)45(35-18-10-17-33(27-35)30-13-6-2-7-14-30)36-23-25-39-37(28-36)41-40(46-39)26-24-38-42(41)47-43(44-38)32-15-8-3-9-16-32/h1-28H
InChIKeyVKFVIMGLNCAOKZ-UHFFFAOYSA-N
MW604.71 g/mol
LogP12.20
Rot. Bonds6

About 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine

2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine (PubChem CID 167124553) has the molecular formula C43H28N2O2 and a molecular weight of 604.71 g/mol. Its IUPAC name is 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine.

Molecular Properties

Compound Name2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
PubChem CID167124553
Molecular FormulaC43H28N2O2
Molecular Weight604.71 g/mol
Exact Mass604.22
IUPAC Name2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5ccc6nc(-c7ccccc7)oc6c5c4c3)cc2)cc1
InChIInChI=1S/C43H28N2O2/c1-4-11-29(12-5-1)31-19-21-34(22-20-31)45(35-18-10-17-33(27-35)30-13-6-2-7-14-30)36-23-25-39-37(28-36)41-40(46-39)26-24-38-42(41)47-43(44-38)32-15-8-3-9-16-32/h1-28H
InChIKeyVKFVIMGLNCAOKZ-UHFFFAOYSA-N
XLogP12.20
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-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

N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 167123049
N-phenanthren-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167122976
N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 176851647
N-phenanthren-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123128
3-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167124820
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167125004
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 167124665
2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167122974
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 167123703
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
CID 167128243
1-N,3-N-diphenyl-1-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171417058
N-dibenzofuran-3-yl-17-phenyl-N-(3-phenylphenyl)-16-oxa-18-azapentacyclo[12.7.0.02,7.08,13.015,19]henicosa-1(14),2,4,6,8(13),9,11,15(19),17,20-decaen-11-amine
CID 165027441

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine?
The IUPAC name of 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine (CID 167124553) is 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine.
What is the SMILES notation for 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine?
The canonical SMILES for 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5ccc6nc(-c7ccccc7)oc6c5c4c3)cc2)cc1.
What is the InChIKey of 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine?
The InChIKey is VKFVIMGLNCAOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O2/c1-4-11-29(12-5-1)31-19-21-34(22-20-31)45(35-18-10-17-33(27-35)30-13-6-2-7-14-30)36-23-25-39-37(28-36)41-40(46-39)26-24-38-42(41)47-43(44-38)32-15-8-3-9-16-32/h1-28H.
What are the key properties of 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine?
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine has a molecular weight of 604.71 g/mol, XLogP of 12.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine is sourced from PubChem (CID 167124553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).