2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,10-diphenyl-[1,3]oxazolo[5,4-b]phenazine

C46H30N6O — CID 90201708

IUPAC2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,10-diphenyl-[1,3]oxazolo[5,4-b]phenazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5cc6c(cc5o4)N(c4ccccc4)c4ccccc4N6c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C46H30N6O/c1-5-15-31(16-6-1)43-48-44(32-17-7-2-8-18-32)50-45(49-43)33-25-27-34(28-26-33)46-47-37-29-40-41(30-42(37)53-46)52(36-21-11-4-12-22-36)39-24-14-13-23-38(39)51(40)35-19-9-3-10-20-35/h1-30H
InChIKeyLSSFRHANMNMYHM-UHFFFAOYSA-N
MW682.79 g/mol
LogP11.93
Rot. Bonds6

About 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,10-diphenyl-[1,3]oxazolo[5,4-b]phenazine

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,10-diphenyl-[1,3]oxazolo[5,4-b]phenazine (PubChem CID 90201708) has the molecular formula C46H30N6O and a molecular weight of 682.79 g/mol. Its IUPAC name is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,10-diphenyl-[1,3]oxazolo[5,4-b]phenazine.

Molecular Properties

Compound Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,10-diphenyl-[1,3]oxazolo[5,4-b]phenazine
PubChem CID90201708
Molecular FormulaC46H30N6O
Molecular Weight682.79 g/mol
Exact Mass682.25
IUPAC Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,10-diphenyl-[1,3]oxazolo[5,4-b]phenazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5cc6c(cc5o4)N(c4ccccc4)c4ccccc4N6c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C46H30N6O/c1-5-15-31(16-6-1)43-48-44(32-17-7-2-8-18-32)50-45(49-43)33-25-27-34(28-26-33)46-47-37-29-40-41(30-42(37)53-46)52(36-21-11-4-12-22-36)39-24-14-13-23-38(39)51(40)35-19-9-3-10-20-35/h1-30H
InChIKeyLSSFRHANMNMYHM-UHFFFAOYSA-N
XLogP11.93
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.79
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,10-diphenyl-[1,3]oxazolo[5,4-b]phenazine?
The IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,10-diphenyl-[1,3]oxazolo[5,4-b]phenazine (CID 90201708) is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,10-diphenyl-[1,3]oxazolo[5,4-b]phenazine.
What is the SMILES notation for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,10-diphenyl-[1,3]oxazolo[5,4-b]phenazine?
The canonical SMILES for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,10-diphenyl-[1,3]oxazolo[5,4-b]phenazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5cc6c(cc5o4)N(c4ccccc4)c4ccccc4N6c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,10-diphenyl-[1,3]oxazolo[5,4-b]phenazine?
The InChIKey is LSSFRHANMNMYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N6O/c1-5-15-31(16-6-1)43-48-44(32-17-7-2-8-18-32)50-45(49-43)33-25-27-34(28-26-33)46-47-37-29-40-41(30-42(37)53-46)52(36-21-11-4-12-22-36)39-24-14-13-23-38(39)51(40)35-19-9-3-10-20-35/h1-30H.
What are the key properties of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,10-diphenyl-[1,3]oxazolo[5,4-b]phenazine?
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,10-diphenyl-[1,3]oxazolo[5,4-b]phenazine has a molecular weight of 682.79 g/mol, XLogP of 11.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,10-diphenyl-[1,3]oxazolo[5,4-b]phenazine is sourced from PubChem (CID 90201708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).