2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-1,3-benzoxazole

C27H17N5O — CID 70830037

IUPAC2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5o4)nc3)n2)cc1
InChIInChI=1S/C27H17N5O/c1-3-9-18(10-4-1)24-30-25(19-11-5-2-6-12-19)32-26(31-24)20-15-16-22(28-17-20)27-29-21-13-7-8-14-23(21)33-27/h1-17H
InChIKeyUZYAONNSCLFJJX-UHFFFAOYSA-N
MW427.47 g/mol
LogP6.08
Rot. Bonds4

About 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-1,3-benzoxazole

2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-1,3-benzoxazole (PubChem CID 70830037) has the molecular formula C27H17N5O and a molecular weight of 427.47 g/mol. Its IUPAC name is 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-1,3-benzoxazole
PubChem CID70830037
Molecular FormulaC27H17N5O
Molecular Weight427.47 g/mol
Exact Mass427.14
IUPAC Name2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5o4)nc3)n2)cc1
InChIInChI=1S/C27H17N5O/c1-3-9-18(10-4-1)24-30-25(19-11-5-2-6-12-19)32-26(31-24)20-15-16-22(28-17-20)27-29-21-13-7-8-14-23(21)33-27/h1-17H
InChIKeyUZYAONNSCLFJJX-UHFFFAOYSA-N
XLogP6.08
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-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

2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole
CID 169047262
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 70830032
2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-1,3-benzoxazole
CID 166582820
2-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681660
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641
6-(1,3-benzoxazol-2-yl)pyridin-3-ol
CID 136776961
2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole
CID 56943829
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole
CID 70830039
2-[3-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 174264001
2-[3-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 170027959
2-[4-[6-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 170046632
6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenanthridine
CID 176818956

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-1,3-benzoxazole?
The IUPAC name of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-1,3-benzoxazole (CID 70830037) is 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-1,3-benzoxazole?
The canonical SMILES for 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-1,3-benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5o4)nc3)n2)cc1.
What is the InChIKey of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-1,3-benzoxazole?
The InChIKey is UZYAONNSCLFJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N5O/c1-3-9-18(10-4-1)24-30-25(19-11-5-2-6-12-19)32-26(31-24)20-15-16-22(28-17-20)27-29-21-13-7-8-14-23(21)33-27/h1-17H.
What are the key properties of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-1,3-benzoxazole?
2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-1,3-benzoxazole has a molecular weight of 427.47 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-1,3-benzoxazole is sourced from PubChem (CID 70830037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).