10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine

C43H28N6O — CID 118528337

IUPAC10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)n2)cc1
InChIInChI=1S/C43H28N6O/c1-4-14-29(15-5-1)34-28-35(30-16-6-2-7-17-30)45-42(44-34)43-47-40(31-18-8-3-9-19-31)46-41(48-43)32-24-26-33(27-25-32)49-36-20-10-12-22-38(36)50-39-23-13-11-21-37(39)49/h1-28H
InChIKeyGVBSDNVVZCCQLF-UHFFFAOYSA-N
MW644.74 g/mol
LogP10.57
Rot. Bonds6

About 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine

10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine (PubChem CID 118528337) has the molecular formula C43H28N6O and a molecular weight of 644.74 g/mol. Its IUPAC name is 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
PubChem CID118528337
Molecular FormulaC43H28N6O
Molecular Weight644.74 g/mol
Exact Mass644.23
IUPAC Name10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)n2)cc1
InChIInChI=1S/C43H28N6O/c1-4-14-29(15-5-1)34-28-35(30-16-6-2-7-17-30)45-42(44-34)43-47-40(31-18-8-3-9-19-31)46-41(48-43)32-24-26-33(27-25-32)49-36-20-10-12-22-38(36)50-39-23-13-11-21-37(39)49/h1-28H
InChIKeyGVBSDNVVZCCQLF-UHFFFAOYSA-N
XLogP10.57
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.74
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine (CID 118528337) is 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)n2)cc1.
What is the InChIKey of 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The InChIKey is GVBSDNVVZCCQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N6O/c1-4-14-29(15-5-1)34-28-35(30-16-6-2-7-17-30)45-42(44-34)43-47-40(31-18-8-3-9-19-31)46-41(48-43)32-24-26-33(27-25-32)49-36-20-10-12-22-38(36)50-39-23-13-11-21-37(39)49/h1-28H.
What are the key properties of 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?
10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine has a molecular weight of 644.74 g/mol, XLogP of 10.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 118528337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).