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

C38H25N5O — CID 118528336

IUPAC10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)n2)cc1
InChIInChI=1S/C38H25N5O/c1-3-12-26(13-4-1)30-16-11-17-31(39-30)38-41-36(27-14-5-2-6-15-27)40-37(42-38)28-22-24-29(25-23-28)43-32-18-7-9-20-34(32)44-35-21-10-8-19-33(35)43/h1-25H
InChIKeyRXWXUKLZQGPMCO-UHFFFAOYSA-N
MW567.65 g/mol
LogP9.51
Rot. Bonds5

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

10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine (PubChem CID 118528336) has the molecular formula C38H25N5O and a molecular weight of 567.65 g/mol. Its IUPAC name is 10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
PubChem CID118528336
Molecular FormulaC38H25N5O
Molecular Weight567.65 g/mol
Exact Mass567.21
IUPAC Name10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)n2)cc1
InChIInChI=1S/C38H25N5O/c1-3-12-26(13-4-1)30-16-11-17-31(39-30)38-41-36(27-14-5-2-6-15-27)40-37(42-38)28-22-24-29(25-23-28)43-32-18-7-9-20-34(32)44-35-21-10-8-19-33(35)43/h1-25H
InChIKeyRXWXUKLZQGPMCO-UHFFFAOYSA-N
XLogP9.51
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.65
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-Methoxyphenyl)piperazin-1-yl]quinoline
CID 5199379
Phenoxazine-2,4,6-triphenyl-1,3,5-triazine
CID 102311758
4-[4-(2-Methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline
CID 4110915
N-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl]-4H-1,4-benzoxazin-3-imine;hydrobromide
CID 136094686
2-(10H-Phenoxazine-10-yl)-4,6-diphenyl-1,3,5-triazine
CID 59194549
10-[4-[6,7-Difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine
CID 139188327
US10196391, Example 38
CID 121456100
4-[2-(2,3-Dihydro-1,4-benzoxazin-4-yl)quinazolin-4-yl]-2,3-dihydro-1,4-benzoxazine
CID 46873814
10-[4-[2-[3,5-Bis(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]phenoxazine;dichloromethane
CID 168341575
10-[4-(4,5-Diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazine
CID 102430159
2Pxz-taz
CID 102430160
10-[6,8-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine
CID 129290744

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine (CID 118528336) is 10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)n2)cc1.
What is the InChIKey of 10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The InChIKey is RXWXUKLZQGPMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N5O/c1-3-12-26(13-4-1)30-16-11-17-31(39-30)38-41-36(27-14-5-2-6-15-27)40-37(42-38)28-22-24-29(25-23-28)43-32-18-7-9-20-34(32)44-35-21-10-8-19-33(35)43/h1-25H.
What are the key properties of 10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?
10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine has a molecular weight of 567.65 g/mol, XLogP of 9.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 118528336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).