10-(2,6-dipyridin-2-ylphenyl)phenothiazine

C28H19N3S — CID 145009795

IUPAC10-(2,6-dipyridin-2-ylphenyl)phenothiazine
SMILESc1ccc(-c2cccc(-c3ccccn3)c2N2c3ccccc3Sc3ccccc32)nc1
InChIInChI=1S/C28H19N3S/c1-3-16-26-24(14-1)31(25-15-2-4-17-27(25)32-26)28-20(22-12-5-7-18-29-22)10-9-11-21(28)23-13-6-8-19-30-23/h1-19H
InChIKeyBXYYYUDAXKFPSB-UHFFFAOYSA-N
MW429.55 g/mol
LogP7.74
Rot. Bonds3

About 10-(2,6-dipyridin-2-ylphenyl)phenothiazine

10-(2,6-dipyridin-2-ylphenyl)phenothiazine (PubChem CID 145009795) has the molecular formula C28H19N3S and a molecular weight of 429.55 g/mol. Its IUPAC name is 10-(2,6-dipyridin-2-ylphenyl)phenothiazine.

Molecular Properties

Compound Name10-(2,6-dipyridin-2-ylphenyl)phenothiazine
PubChem CID145009795
Molecular FormulaC28H19N3S
Molecular Weight429.55 g/mol
Exact Mass429.13
IUPAC Name10-(2,6-dipyridin-2-ylphenyl)phenothiazine
SMILESc1ccc(-c2cccc(-c3ccccn3)c2N2c3ccccc3Sc3ccccc32)nc1
InChIInChI=1S/C28H19N3S/c1-3-16-26-24(14-1)31(25-15-2-4-17-27(25)32-26)28-20(22-12-5-7-18-29-22)10-9-11-21(28)23-13-6-8-19-30-23/h1-19H
InChIKeyBXYYYUDAXKFPSB-UHFFFAOYSA-N
XLogP7.74
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine
CID 67307696
10-[4-[4-[2,5-dimethyl-4-(2-pyridin-2-yl-4-pyridinyl)phenyl]-2,5-dimethylphenyl]-2,5-dimethylphenyl]phenothiazine
CID 102039458
cesium 2,6-dipyridin-2-ylphenolate
CID 59522981
10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine
CID 89368097
10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine
CID 147241998
5,10-dicyclopentyl-1-pyridin-2-ylphenazine
CID 153432933
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-1-pyridin-2-ylphenazine
CID 153432968
2-pyridin-2-ylphenol;hydrate
CID 175244966
8,14-diphenyl-6-pyridin-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 153317154
10-[7,11-di(phenothiazin-10-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]phenothiazine
CID 67476601
3-[3-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile
CID 146542766
12-(2,6-dipyridin-2-ylphenyl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145009975

Frequently Asked Questions

What is the IUPAC name of 10-(2,6-dipyridin-2-ylphenyl)phenothiazine?
The IUPAC name of 10-(2,6-dipyridin-2-ylphenyl)phenothiazine (CID 145009795) is 10-(2,6-dipyridin-2-ylphenyl)phenothiazine.
What is the SMILES notation for 10-(2,6-dipyridin-2-ylphenyl)phenothiazine?
The canonical SMILES for 10-(2,6-dipyridin-2-ylphenyl)phenothiazine is c1ccc(-c2cccc(-c3ccccn3)c2N2c3ccccc3Sc3ccccc32)nc1.
What is the InChIKey of 10-(2,6-dipyridin-2-ylphenyl)phenothiazine?
The InChIKey is BXYYYUDAXKFPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3S/c1-3-16-26-24(14-1)31(25-15-2-4-17-27(25)32-26)28-20(22-12-5-7-18-29-22)10-9-11-21(28)23-13-6-8-19-30-23/h1-19H.
What are the key properties of 10-(2,6-dipyridin-2-ylphenyl)phenothiazine?
10-(2,6-dipyridin-2-ylphenyl)phenothiazine has a molecular weight of 429.55 g/mol, XLogP of 7.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,6-dipyridin-2-ylphenyl)phenothiazine is sourced from PubChem (CID 145009795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).