10-(3-pyridin-2-ylphenyl)-2-(1-pyridin-2-ylsilinan-1-yl)phenothiazine

C33H29N3SSi — CID 140716641

IUPAC10-(3-pyridin-2-ylphenyl)-2-(1-pyridin-2-ylsilinan-1-yl)phenothiazine
SMILESc1ccc(-c2cccc(N3c4ccccc4Sc4ccc([Si]5(c6ccccn6)CCCCC5)cc43)c2)nc1
InChIInChI=1S/C33H29N3SSi/c1-8-21-38(22-9-1,33-16-5-7-20-35-33)27-17-18-32-30(24-27)36(29-14-2-3-15-31(29)37-32)26-12-10-11-25(23-26)28-13-4-6-19-34-28/h2-7,10-20,23-24H,1,8-9,21-22H2
InChIKeyDBNHKDYKNGRSTE-UHFFFAOYSA-N
MW527.77 g/mol
LogP7.82
Rot. Bonds4

About 10-(3-pyridin-2-ylphenyl)-2-(1-pyridin-2-ylsilinan-1-yl)phenothiazine

10-(3-pyridin-2-ylphenyl)-2-(1-pyridin-2-ylsilinan-1-yl)phenothiazine (PubChem CID 140716641) has the molecular formula C33H29N3SSi and a molecular weight of 527.77 g/mol. Its IUPAC name is 10-(3-pyridin-2-ylphenyl)-2-(1-pyridin-2-ylsilinan-1-yl)phenothiazine.

Molecular Properties

Compound Name10-(3-pyridin-2-ylphenyl)-2-(1-pyridin-2-ylsilinan-1-yl)phenothiazine
PubChem CID140716641
Molecular FormulaC33H29N3SSi
Molecular Weight527.77 g/mol
Exact Mass527.19
IUPAC Name10-(3-pyridin-2-ylphenyl)-2-(1-pyridin-2-ylsilinan-1-yl)phenothiazine
SMILESc1ccc(-c2cccc(N3c4ccccc4Sc4ccc([Si]5(c6ccccn6)CCCCC5)cc43)c2)nc1
InChIInChI=1S/C33H29N3SSi/c1-8-21-38(22-9-1,33-16-5-7-20-35-33)27-17-18-32-30(24-27)36(29-14-2-3-15-31(29)37-32)26-12-10-11-25(23-26)28-13-4-6-19-34-28/h2-7,10-20,23-24H,1,8-9,21-22H2
InChIKeyDBNHKDYKNGRSTE-UHFFFAOYSA-N
XLogP7.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.77
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine
CID 67307696
10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine
CID 89368097
11-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridin-2-yl-6H-benzo[c][1,5]benzothiazepine
CID 140683150
10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine
CID 129291643
4-(3-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile
CID 146542786
10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine
CID 118303730
2-[4-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146543302
10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine
CID 147241998
3-[3-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile
CID 146542766
10-(2,6-dipyridin-2-ylphenyl)phenothiazine
CID 145009795
5,10-diphenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazasiline
CID 140752665
8,14-diphenyl-4,18-dipyridin-2-yl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 156629748

Frequently Asked Questions

What is the IUPAC name of 10-(3-pyridin-2-ylphenyl)-2-(1-pyridin-2-ylsilinan-1-yl)phenothiazine?
The IUPAC name of 10-(3-pyridin-2-ylphenyl)-2-(1-pyridin-2-ylsilinan-1-yl)phenothiazine (CID 140716641) is 10-(3-pyridin-2-ylphenyl)-2-(1-pyridin-2-ylsilinan-1-yl)phenothiazine.
What is the SMILES notation for 10-(3-pyridin-2-ylphenyl)-2-(1-pyridin-2-ylsilinan-1-yl)phenothiazine?
The canonical SMILES for 10-(3-pyridin-2-ylphenyl)-2-(1-pyridin-2-ylsilinan-1-yl)phenothiazine is c1ccc(-c2cccc(N3c4ccccc4Sc4ccc([Si]5(c6ccccn6)CCCCC5)cc43)c2)nc1.
What is the InChIKey of 10-(3-pyridin-2-ylphenyl)-2-(1-pyridin-2-ylsilinan-1-yl)phenothiazine?
The InChIKey is DBNHKDYKNGRSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3SSi/c1-8-21-38(22-9-1,33-16-5-7-20-35-33)27-17-18-32-30(24-27)36(29-14-2-3-15-31(29)37-32)26-12-10-11-25(23-26)28-13-4-6-19-34-28/h2-7,10-20,23-24H,1,8-9,21-22H2.
What are the key properties of 10-(3-pyridin-2-ylphenyl)-2-(1-pyridin-2-ylsilinan-1-yl)phenothiazine?
10-(3-pyridin-2-ylphenyl)-2-(1-pyridin-2-ylsilinan-1-yl)phenothiazine has a molecular weight of 527.77 g/mol, XLogP of 7.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-pyridin-2-ylphenyl)-2-(1-pyridin-2-ylsilinan-1-yl)phenothiazine is sourced from PubChem (CID 140716641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).