11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylindolo[2,1-b][1,3]benzoxazole

C42H27N3O — CID 163856374

IUPAC11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylindolo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2cc(-c3ccc(-c4c5c(-c6ccccc6)cccc5n5c4oc4ccccc45)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H27N3O/c1-4-13-28(14-5-1)33-19-12-21-37-40(33)39(42-45(37)36-20-10-11-22-38(36)46-42)31-25-23-30(24-26-31)35-27-34(29-15-6-2-7-16-29)43-41(44-35)32-17-8-3-9-18-32/h1-27H
InChIKeyOYQNLOPKAMWPCU-UHFFFAOYSA-N
MW589.70 g/mol
LogP10.96
Rot. Bonds5

About 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylindolo[2,1-b][1,3]benzoxazole

11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylindolo[2,1-b][1,3]benzoxazole (PubChem CID 163856374) has the molecular formula C42H27N3O and a molecular weight of 589.70 g/mol. Its IUPAC name is 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylindolo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylindolo[2,1-b][1,3]benzoxazole
PubChem CID163856374
Molecular FormulaC42H27N3O
Molecular Weight589.70 g/mol
Exact Mass589.22
IUPAC Name11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylindolo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2cc(-c3ccc(-c4c5c(-c6ccccc6)cccc5n5c4oc4ccccc45)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H27N3O/c1-4-13-28(14-5-1)33-19-12-21-37-40(33)39(42-45(37)36-20-10-11-22-38(36)46-42)31-25-23-30(24-26-31)35-27-34(29-15-6-2-7-16-29)43-41(44-35)32-17-8-3-9-18-32/h1-27H
InChIKeyOYQNLOPKAMWPCU-UHFFFAOYSA-N
XLogP10.96
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylindolo[2,1-b][1,3]benzoxazole 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

4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376
11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole
CID 164782309
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane
CID 164974708
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidine
CID 157238960
16-dibenzofuran-1-yl-3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 176758817
4-(4-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine
CID 121460844
4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 121460845
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171583095

Frequently Asked Questions

What is the IUPAC name of 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylindolo[2,1-b][1,3]benzoxazole?
The IUPAC name of 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylindolo[2,1-b][1,3]benzoxazole (CID 163856374) is 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylindolo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylindolo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylindolo[2,1-b][1,3]benzoxazole is c1ccc(-c2cc(-c3ccc(-c4c5c(-c6ccccc6)cccc5n5c4oc4ccccc45)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylindolo[2,1-b][1,3]benzoxazole?
The InChIKey is OYQNLOPKAMWPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3O/c1-4-13-28(14-5-1)33-19-12-21-37-40(33)39(42-45(37)36-20-10-11-22-38(36)46-42)31-25-23-30(24-26-31)35-27-34(29-15-6-2-7-16-29)43-41(44-35)32-17-8-3-9-18-32/h1-27H.
What are the key properties of 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylindolo[2,1-b][1,3]benzoxazole?
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylindolo[2,1-b][1,3]benzoxazole has a molecular weight of 589.70 g/mol, XLogP of 10.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylindolo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 163856374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).