8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole

C39H25N3O — CID 138633638

IUPAC8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc6nc(-c7ccccc7)oc6c5c4)c3)n2)cc1
InChIInChI=1S/C39H25N3O/c1-4-11-27(12-5-1)35-25-36(28-13-6-2-7-14-28)41-38(40-35)32-18-10-17-30(23-32)31-20-19-26-21-22-34-37(33(26)24-31)43-39(42-34)29-15-8-3-9-16-29/h1-25H
InChIKeyUCXAKGDDVUHTBM-UHFFFAOYSA-N
MW551.65 g/mol
LogP10.11
Rot. Bonds5

About 8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole

8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole (PubChem CID 138633638) has the molecular formula C39H25N3O and a molecular weight of 551.65 g/mol. Its IUPAC name is 8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole.

Molecular Properties

Compound Name8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole
PubChem CID138633638
Molecular FormulaC39H25N3O
Molecular Weight551.65 g/mol
Exact Mass551.20
IUPAC Name8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc6nc(-c7ccccc7)oc6c5c4)c3)n2)cc1
InChIInChI=1S/C39H25N3O/c1-4-11-27(12-5-1)35-25-36(28-13-6-2-7-14-28)41-38(40-35)32-18-10-17-30(23-32)31-20-19-26-21-22-34-37(33(26)24-31)43-39(42-34)29-15-8-3-9-16-29/h1-25H
InChIKeyUCXAKGDDVUHTBM-UHFFFAOYSA-N
XLogP10.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][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

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 134365347
2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole
CID 138633502
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole
CID 138633683
2-phenyl-10-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164747987
5-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 174334557
2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164758486
2-phenyl-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 146719610
18-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177086385
9-[4-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764262
2-phenyl-6-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 153017614
18-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177085742
19-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631677

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole?
The IUPAC name of 8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole (CID 138633638) is 8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole.
What is the SMILES notation for 8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole?
The canonical SMILES for 8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc6nc(-c7ccccc7)oc6c5c4)c3)n2)cc1.
What is the InChIKey of 8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole?
The InChIKey is UCXAKGDDVUHTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O/c1-4-11-27(12-5-1)35-25-36(28-13-6-2-7-14-28)41-38(40-35)32-18-10-17-30(23-32)31-20-19-26-21-22-34-37(33(26)24-31)43-39(42-34)29-15-8-3-9-16-29/h1-25H.
What are the key properties of 8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole?
8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole has a molecular weight of 551.65 g/mol, XLogP of 10.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole is sourced from PubChem (CID 138633638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).