6-[2-[2-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]-2-pyridin-3-yl-1,3-benzoxazole

C45H29N3O — CID 174333361

IUPAC6-[2-[2-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]-2-pyridin-3-yl-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccc4ccccc4c3-c3ccc4nc(-c5cccnc5)oc4c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H29N3O/c1-3-13-31(14-4-1)41-26-35(27-42(47-41)32-15-5-2-6-16-32)36-18-9-10-20-38(36)39-23-21-30-12-7-8-19-37(30)44(39)33-22-24-40-43(28-33)49-45(48-40)34-17-11-25-46-29-34/h1-29H
InChIKeyJFIICANJCCMGBT-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.77
Rot. Bonds6

About 6-[2-[2-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]-2-pyridin-3-yl-1,3-benzoxazole

6-[2-[2-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]-2-pyridin-3-yl-1,3-benzoxazole (PubChem CID 174333361) has the molecular formula C45H29N3O and a molecular weight of 627.75 g/mol. Its IUPAC name is 6-[2-[2-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]-2-pyridin-3-yl-1,3-benzoxazole.

Molecular Properties

Compound Name6-[2-[2-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]-2-pyridin-3-yl-1,3-benzoxazole
PubChem CID174333361
Molecular FormulaC45H29N3O
Molecular Weight627.75 g/mol
Exact Mass627.23
IUPAC Name6-[2-[2-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]-2-pyridin-3-yl-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccc4ccccc4c3-c3ccc4nc(-c5cccnc5)oc4c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H29N3O/c1-3-13-31(14-4-1)41-26-35(27-42(47-41)32-15-5-2-6-16-32)36-18-9-10-20-38(36)39-23-21-30-12-7-8-19-37(30)44(39)33-22-24-40-43(28-33)49-45(48-40)34-17-11-25-46-29-34/h1-29H
InChIKeyJFIICANJCCMGBT-UHFFFAOYSA-N
XLogP11.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[2-[2-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]-2-pyridin-3-yl-1,3-benzoxazole with MolForge

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Related Compounds

2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 174333028
6-(4-phenanthren-9-ylphenyl)-2-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole
CID 137473475
5-[2-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-1-yl]-2-pyridin-2-yl-1,3-benzoxazole
CID 174333362
5-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole
CID 174332746
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole
CID 149079954
2-(3-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyridine
CID 134320914
5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 174333735
2-phenyl-6-[4-(2-phenyl-1,3-benzoxazol-6-yl)-6-[4-[6-(4-pyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 171761143
2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 164758438
6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole
CID 149428077
2-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)propanoic acid
CID 67405826
3-[4-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-1-phenylbenzo[f]quinoline
CID 146185312

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]-2-pyridin-3-yl-1,3-benzoxazole?
The IUPAC name of 6-[2-[2-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]-2-pyridin-3-yl-1,3-benzoxazole (CID 174333361) is 6-[2-[2-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]-2-pyridin-3-yl-1,3-benzoxazole.
What is the SMILES notation for 6-[2-[2-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]-2-pyridin-3-yl-1,3-benzoxazole?
The canonical SMILES for 6-[2-[2-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]-2-pyridin-3-yl-1,3-benzoxazole is c1ccc(-c2cc(-c3ccccc3-c3ccc4ccccc4c3-c3ccc4nc(-c5cccnc5)oc4c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-[2-[2-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]-2-pyridin-3-yl-1,3-benzoxazole?
The InChIKey is JFIICANJCCMGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O/c1-3-13-31(14-4-1)41-26-35(27-42(47-41)32-15-5-2-6-16-32)36-18-9-10-20-38(36)39-23-21-30-12-7-8-19-37(30)44(39)33-22-24-40-43(28-33)49-45(48-40)34-17-11-25-46-29-34/h1-29H.
What are the key properties of 6-[2-[2-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]-2-pyridin-3-yl-1,3-benzoxazole?
6-[2-[2-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]-2-pyridin-3-yl-1,3-benzoxazole has a molecular weight of 627.75 g/mol, XLogP of 11.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]-2-pyridin-3-yl-1,3-benzoxazole is sourced from PubChem (CID 174333361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).