dimethyl-[6-(8-methyl-2-phenyl-6H-thieno[2,3-h]quinazolin-6-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]-(4-phenyl-6-phenyl-2-pyridinyl)silane;platinum(2+)

C42H29F3N4PtSSi — CID 165168032

IUPACdimethyl-[6-(8-methyl-2-phenyl-6H-thieno[2,3-h]quinazolin-6-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]-(4-phenyl-6-phenyl-2-pyridinyl)silane;platinum(2+)
SMILESCc1cc2c([c-]c(-c3ccc(C(F)(F)F)c([Si](C)(C)c4cc(-c5ccccc5)cc(-c5[c-]cccc5)n4)n3)c3cnc(-c4ccccc4)nc32)s1.[Pt+2]
InChIInChI=1S/C42H29F3N4SSi.Pt/c1-26-21-32-37(50-26)24-31(33-25-46-40(49-39(32)33)29-17-11-6-12-18-29)35-20-19-34(42(43,44)45)41(48-35)51(2,3)38-23-30(27-13-7-4-8-14-27)22-36(47-38)28-15-9-5-10-16-28;/h4-15,17-23,25H,1-3H3;/q-2;+2
InChIKeySXLCRIKJSODZFM-UHFFFAOYSA-N
MW901.95 g/mol
LogP10.05
Rot. Bonds6

About dimethyl-[6-(8-methyl-2-phenyl-6H-thieno[2,3-h]quinazolin-6-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]-(4-phenyl-6-phenyl-2-pyridinyl)silane;platinum(2+)

dimethyl-[6-(8-methyl-2-phenyl-6H-thieno[2,3-h]quinazolin-6-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]-(4-phenyl-6-phenyl-2-pyridinyl)silane;platinum(2+) (PubChem CID 165168032) has the molecular formula C42H29F3N4PtSSi and a molecular weight of 901.95 g/mol. Its IUPAC name is dimethyl-[6-(8-methyl-2-phenyl-6H-thieno[2,3-h]quinazolin-6-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]-(4-phenyl-6-phenyl-2-pyridinyl)silane;platinum(2+).

Molecular Properties

Compound Namedimethyl-[6-(8-methyl-2-phenyl-6H-thieno[2,3-h]quinazolin-6-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]-(4-phenyl-6-phenyl-2-pyridinyl)silane;platinum(2+)
PubChem CID165168032
Molecular FormulaC42H29F3N4PtSSi
Molecular Weight901.95 g/mol
Exact Mass901.15
IUPAC Namedimethyl-[6-(8-methyl-2-phenyl-6H-thieno[2,3-h]quinazolin-6-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]-(4-phenyl-6-phenyl-2-pyridinyl)silane;platinum(2+)
SMILESCc1cc2c([c-]c(-c3ccc(C(F)(F)F)c([Si](C)(C)c4cc(-c5ccccc5)cc(-c5[c-]cccc5)n4)n3)c3cnc(-c4ccccc4)nc32)s1.[Pt+2]
InChIInChI=1S/C42H29F3N4SSi.Pt/c1-26-21-32-37(50-26)24-31(33-25-46-40(49-39(32)33)29-17-11-6-12-18-29)35-20-19-34(42(43,44)45)41(48-35)51(2,3)38-23-30(27-13-7-4-8-14-27)22-36(47-38)28-15-9-5-10-16-28;/h4-15,17-23,25H,1-3H3;/q-2;+2
InChIKeySXLCRIKJSODZFM-UHFFFAOYSA-N
XLogP10.05
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.95
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dimethyl-[6-(8-methyl-2-phenyl-6H-thieno[2,3-h]quinazolin-6-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]-(4-phenyl-6-phenyl-2-pyridinyl)silane;platinum(2+) with MolForge

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Related Compounds

(3-{(3r)-1-[4-(1-Benzothiophen-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-2-Methyl-1h-Pyrrolo[2,3-B]pyridin-1-Yl)acetonitrile
CID 51000424
2-(3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)piperidin-3-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile
CID 54581253
3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)piperidin-3-yl)-1-methyl-1H-pyrrolo[2,3-b]pyridine
CID 54582259
2-(3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)piperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile
CID 54586115
3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)piperidin-3-yl)-1-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 54586116
6-[2-(5-Fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidin-2-ylthieno[2,3-b]pyridine
CID 123504123
4-[(3aS,7aS)-5-[(6-cyclopropylpyridin-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134364891
4-[(3aS,7aS)-5-[(2-methylpyridin-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 139323115
4-[(3aS,7aS)-5-[(6-methylpyridin-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 139323213
2-(2-Thiophen-2-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 141215435
4-(Difluoromethyl)-2-(2-thiophen-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 141215438
5-fluoro-4-[4-methylidene-5-(5-methylthiophen-2-yl)-1H-1,6-naphthyridin-2-yl]-6-pyridin-3-ylpyrido[2,3-d]pyrimidine
CID 145039106

Frequently Asked Questions

What is the IUPAC name of dimethyl-[6-(8-methyl-2-phenyl-6H-thieno[2,3-h]quinazolin-6-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]-(4-phenyl-6-phenyl-2-pyridinyl)silane;platinum(2+)?
The IUPAC name of dimethyl-[6-(8-methyl-2-phenyl-6H-thieno[2,3-h]quinazolin-6-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]-(4-phenyl-6-phenyl-2-pyridinyl)silane;platinum(2+) (CID 165168032) is dimethyl-[6-(8-methyl-2-phenyl-6H-thieno[2,3-h]quinazolin-6-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]-(4-phenyl-6-phenyl-2-pyridinyl)silane;platinum(2+).
What is the SMILES notation for dimethyl-[6-(8-methyl-2-phenyl-6H-thieno[2,3-h]quinazolin-6-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]-(4-phenyl-6-phenyl-2-pyridinyl)silane;platinum(2+)?
The canonical SMILES for dimethyl-[6-(8-methyl-2-phenyl-6H-thieno[2,3-h]quinazolin-6-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]-(4-phenyl-6-phenyl-2-pyridinyl)silane;platinum(2+) is Cc1cc2c([c-]c(-c3ccc(C(F)(F)F)c([Si](C)(C)c4cc(-c5ccccc5)cc(-c5[c-]cccc5)n4)n3)c3cnc(-c4ccccc4)nc32)s1.[Pt+2].
What is the InChIKey of dimethyl-[6-(8-methyl-2-phenyl-6H-thieno[2,3-h]quinazolin-6-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]-(4-phenyl-6-phenyl-2-pyridinyl)silane;platinum(2+)?
The InChIKey is SXLCRIKJSODZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29F3N4SSi.Pt/c1-26-21-32-37(50-26)24-31(33-25-46-40(49-39(32)33)29-17-11-6-12-18-29)35-20-19-34(42(43,44)45)41(48-35)51(2,3)38-23-30(27-13-7-4-8-14-27)22-36(47-38)28-15-9-5-10-16-28;/h4-15,17-23,25H,1-3H3;/q-2;+2.
What are the key properties of dimethyl-[6-(8-methyl-2-phenyl-6H-thieno[2,3-h]quinazolin-6-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]-(4-phenyl-6-phenyl-2-pyridinyl)silane;platinum(2+)?
dimethyl-[6-(8-methyl-2-phenyl-6H-thieno[2,3-h]quinazolin-6-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]-(4-phenyl-6-phenyl-2-pyridinyl)silane;platinum(2+) has a molecular weight of 901.95 g/mol, XLogP of 10.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[6-(8-methyl-2-phenyl-6H-thieno[2,3-h]quinazolin-6-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]-(4-phenyl-6-phenyl-2-pyridinyl)silane;platinum(2+) is sourced from PubChem (CID 165168032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).