3-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine

C32H22N2O — CID 164778190

IUPAC3-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc3c(c2)COc2nc4ccccc4n2-3)cc1
InChIInChI=1S/C32H22N2O/c1-3-10-22(11-4-1)26-14-9-15-27(23-12-5-2-6-13-23)31(26)24-18-19-29-25(20-24)21-35-32-33-28-16-7-8-17-30(28)34(29)32/h1-20H,21H2
InChIKeyUBVHHDFUJQWHSP-UHFFFAOYSA-N
MW450.54 g/mol
LogP7.92
Rot. Bonds3

About 3-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine

3-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine (PubChem CID 164778190) has the molecular formula C32H22N2O and a molecular weight of 450.54 g/mol. Its IUPAC name is 3-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine.

Molecular Properties

Compound Name3-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine
PubChem CID164778190
Molecular FormulaC32H22N2O
Molecular Weight450.54 g/mol
Exact Mass450.17
IUPAC Name3-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc3c(c2)COc2nc4ccccc4n2-3)cc1
InChIInChI=1S/C32H22N2O/c1-3-10-22(11-4-1)26-14-9-15-27(23-12-5-2-6-13-23)31(26)24-18-19-29-25(20-24)21-35-32-33-28-16-7-8-17-30(28)34(29)32/h1-20H,21H2
InChIKeyUBVHHDFUJQWHSP-UHFFFAOYSA-N
XLogP7.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine 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

9-[3-(2,6-diphenylphenyl)phenyl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine
CID 164778282
3-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine
CID 164778105
3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine
CID 164778257
[9-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)carbazol-3-yl]-triphenylsilane;10-carbazol-9-yl-5H-benzimidazolo[1,2-a][3,1]benzoxazine;10-(3-carbazol-9-ylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine;10-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine
CID 165071676
1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole
CID 90075826
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
2-(3-tritylphenyl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine
CID 176816012
9-phenyl-3-[10-(4-phenylquinazolin-2-yl)-6H-benzo[c]chromen-2-yl]carbazole
CID 162723168
10-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6H-benzimidazolo[2,1-c][1,4]benzoxazine
CID 164778402
2-[4-carbazol-9-yl-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 149472861
1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole
CID 166510005
2-[4-(6H-benzo[c]chromen-10-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyridine
CID 169281865

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine?
The IUPAC name of 3-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine (CID 164778190) is 3-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine.
What is the SMILES notation for 3-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine?
The canonical SMILES for 3-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine is c1ccc(-c2cccc(-c3ccccc3)c2-c2ccc3c(c2)COc2nc4ccccc4n2-3)cc1.
What is the InChIKey of 3-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine?
The InChIKey is UBVHHDFUJQWHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2O/c1-3-10-22(11-4-1)26-14-9-15-27(23-12-5-2-6-13-23)31(26)24-18-19-29-25(20-24)21-35-32-33-28-16-7-8-17-30(28)34(29)32/h1-20H,21H2.
What are the key properties of 3-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine?
3-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine has a molecular weight of 450.54 g/mol, XLogP of 7.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine is sourced from PubChem (CID 164778190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).