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'}

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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).