2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-10H-phenothiazine 5-oxide

C28H20N4OS — CID 138723348

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-10H-phenothiazine 5-oxide
SMILESCc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc2c1Nc1ccccc1S2=O
InChIInChI=1S/C28H20N4OS/c1-18-21(16-17-24-25(18)29-22-14-8-9-15-23(22)34(24)33)28-31-26(19-10-4-2-5-11-19)30-27(32-28)20-12-6-3-7-13-20/h2-17,29H,1H3
InChIKeyZSHDCZCVGVWISV-UHFFFAOYSA-N
MW460.56 g/mol
LogP6.40
Rot. Bonds3

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-10H-phenothiazine 5-oxide

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-10H-phenothiazine 5-oxide (PubChem CID 138723348) has the molecular formula C28H20N4OS and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-10H-phenothiazine 5-oxide.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-10H-phenothiazine 5-oxide
PubChem CID138723348
Molecular FormulaC28H20N4OS
Molecular Weight460.56 g/mol
Exact Mass460.14
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-10H-phenothiazine 5-oxide
SMILESCc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc2c1Nc1ccccc1S2=O
InChIInChI=1S/C28H20N4OS/c1-18-21(16-17-24-25(18)29-22-14-8-9-15-23(22)34(24)33)28-31-26(19-10-4-2-5-11-19)30-27(32-28)20-12-6-3-7-13-20/h2-17,29H,1H3
InChIKeyZSHDCZCVGVWISV-UHFFFAOYSA-N
XLogP6.40
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-10H-phenothiazine 5-oxide
CID 177311057
2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 138579162
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13λ4-thiaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene 13-oxide
CID 154600213
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium)
CID 157410810
(1S)-3-phenyl-4H-1lambda4,2,4-benzothiadiazine 1-oxide
CID 11413817
4,5,6-trimethyl-2-phenylpyrimidine
CID 21336303
5-methoxy-2-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 143220402
2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 135975716
10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one
CID 155281474
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane
CID 136651088
2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum
CID 135975715
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-10H-phenothiazine 5-oxide?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-10H-phenothiazine 5-oxide (CID 138723348) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-10H-phenothiazine 5-oxide.
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-10H-phenothiazine 5-oxide?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-10H-phenothiazine 5-oxide is Cc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc2c1Nc1ccccc1S2=O.
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-10H-phenothiazine 5-oxide?
The InChIKey is ZSHDCZCVGVWISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4OS/c1-18-21(16-17-24-25(18)29-22-14-8-9-15-23(22)34(24)33)28-31-26(19-10-4-2-5-11-19)30-27(32-28)20-12-6-3-7-13-20/h2-17,29H,1H3.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-10H-phenothiazine 5-oxide?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-10H-phenothiazine 5-oxide has a molecular weight of 460.56 g/mol, XLogP of 6.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-10H-phenothiazine 5-oxide is sourced from PubChem (CID 138723348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).