2-[4-[4,6-di(quinoxalin-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole

C32H18N8O — CID 70830017

IUPAC2-[4-[4,6-di(quinoxalin-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc2nc(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4cnc5ccccc5n4)n3)cnc2c1
InChIInChI=1S/C32H18N8O/c1-3-9-23-21(7-1)33-17-26(35-23)30-38-29(39-31(40-30)27-18-34-22-8-2-4-10-24(22)36-27)19-13-15-20(16-14-19)32-37-25-11-5-6-12-28(25)41-32/h1-18H
InChIKeyZXIWCOWPMHLABX-UHFFFAOYSA-N
MW530.55 g/mol
LogP6.57
Rot. Bonds4

About 2-[4-[4,6-di(quinoxalin-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole

2-[4-[4,6-di(quinoxalin-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole (PubChem CID 70830017) has the molecular formula C32H18N8O and a molecular weight of 530.55 g/mol. Its IUPAC name is 2-[4-[4,6-di(quinoxalin-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[4,6-di(quinoxalin-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
PubChem CID70830017
Molecular FormulaC32H18N8O
Molecular Weight530.55 g/mol
Exact Mass530.16
IUPAC Name2-[4-[4,6-di(quinoxalin-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc2nc(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4cnc5ccccc5n4)n3)cnc2c1
InChIInChI=1S/C32H18N8O/c1-3-9-23-21(7-1)33-17-26(35-23)30-38-29(39-31(40-30)27-18-34-22-8-2-4-10-24(22)36-27)19-13-15-20(16-14-19)32-37-25-11-5-6-12-28(25)41-32/h1-18H
InChIKeyZXIWCOWPMHLABX-UHFFFAOYSA-N
XLogP6.57
TPSA116.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.55
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[4-[4,6-di(quinoxalin-2-yl)-1,3,5-triazin-2-yl]phenyl]-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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4,6-di(quinoxalin-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[4,6-di(quinoxalin-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole (CID 70830017) is 2-[4-[4,6-di(quinoxalin-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[4,6-di(quinoxalin-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[4,6-di(quinoxalin-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole is c1ccc2nc(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4cnc5ccccc5n4)n3)cnc2c1.
What is the InChIKey of 2-[4-[4,6-di(quinoxalin-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
The InChIKey is ZXIWCOWPMHLABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N8O/c1-3-9-23-21(7-1)33-17-26(35-23)30-38-29(39-31(40-30)27-18-34-22-8-2-4-10-24(22)36-27)19-13-15-20(16-14-19)32-37-25-11-5-6-12-28(25)41-32/h1-18H.
What are the key properties of 2-[4-[4,6-di(quinoxalin-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
2-[4-[4,6-di(quinoxalin-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole has a molecular weight of 530.55 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4,6-di(quinoxalin-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 70830017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).