(4,6-diphenyl-2-pyridinyl)-dimethyl-[6-(8-methyl-2-phenylthieno[2,3-h]quinazolin-5-yl)-3-(trifluoromethyl)-2-pyridinyl]silane

C42H31F3N4SSi — CID 165168033

IUPAC(4,6-diphenyl-2-pyridinyl)-dimethyl-[6-(8-methyl-2-phenylthieno[2,3-h]quinazolin-5-yl)-3-(trifluoromethyl)-2-pyridinyl]silane
SMILESCc1cc2c(cc(-c3ccc(C(F)(F)F)c([Si](C)(C)c4cc(-c5ccccc5)cc(-c5ccccc5)n4)n3)c3cnc(-c4ccccc4)nc32)s1
InChIInChI=1S/C42H31F3N4SSi/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/h4-25H,1-3H3
InChIKeyUSEBJXABYPZUDR-UHFFFAOYSA-N
MW708.89 g/mol
LogP10.45
Rot. Bonds6

About (4,6-diphenyl-2-pyridinyl)-dimethyl-[6-(8-methyl-2-phenylthieno[2,3-h]quinazolin-5-yl)-3-(trifluoromethyl)-2-pyridinyl]silane

(4,6-diphenyl-2-pyridinyl)-dimethyl-[6-(8-methyl-2-phenylthieno[2,3-h]quinazolin-5-yl)-3-(trifluoromethyl)-2-pyridinyl]silane (PubChem CID 165168033) has the molecular formula C42H31F3N4SSi and a molecular weight of 708.89 g/mol. Its IUPAC name is (4,6-diphenyl-2-pyridinyl)-dimethyl-[6-(8-methyl-2-phenylthieno[2,3-h]quinazolin-5-yl)-3-(trifluoromethyl)-2-pyridinyl]silane.

Molecular Properties

Compound Name(4,6-diphenyl-2-pyridinyl)-dimethyl-[6-(8-methyl-2-phenylthieno[2,3-h]quinazolin-5-yl)-3-(trifluoromethyl)-2-pyridinyl]silane
PubChem CID165168033
Molecular FormulaC42H31F3N4SSi
Molecular Weight708.89 g/mol
Exact Mass708.20
IUPAC Name(4,6-diphenyl-2-pyridinyl)-dimethyl-[6-(8-methyl-2-phenylthieno[2,3-h]quinazolin-5-yl)-3-(trifluoromethyl)-2-pyridinyl]silane
SMILESCc1cc2c(cc(-c3ccc(C(F)(F)F)c([Si](C)(C)c4cc(-c5ccccc5)cc(-c5ccccc5)n4)n3)c3cnc(-c4ccccc4)nc32)s1
InChIInChI=1S/C42H31F3N4SSi/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/h4-25H,1-3H3
InChIKeyUSEBJXABYPZUDR-UHFFFAOYSA-N
XLogP10.45
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.89
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4,6-diphenyl-2-pyridinyl)-dimethyl-[6-(8-methyl-2-phenylthieno[2,3-h]quinazolin-5-yl)-3-(trifluoromethyl)-2-pyridinyl]silane with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-7-pyrimidin-4-yl-4-[3-(trifluoromethyl)-1-benzothiophen-6-yl]-3,4-dihydro-1H-isoquinoline
CID 68996441
2-methyl-7-pyrimidin-4-yl-4-[3-(trifluoromethyl)-1-benzothiophen-5-yl]-3,4-dihydro-1H-isoquinoline
CID 68998823
7-(1-benzothiophen-5-yl)-8-fluoro-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 117658075
7-(1-benzothiophen-4-yl)-8-fluoro-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 117658084
7-(1-benzothiophen-6-yl)-8-fluoro-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 117658085
7-(1-benzothiophen-7-yl)-8-fluoro-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 117658086
4-(4-Dibenzothiophen-2-ylphenyl)-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262029
4-Dibenzothiophen-2-yl-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130262651
4-Dibenzothiophen-2-yl-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262864
4-(4-Dibenzothiophen-2-ylphenyl)-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130262880
4-Dibenzothiophen-2-yl-6-(4-fluorophenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263545
4-(4-Dibenzothiophen-2-ylphenyl)-6-(4-fluorophenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263569

Frequently Asked Questions

What is the IUPAC name of (4,6-diphenyl-2-pyridinyl)-dimethyl-[6-(8-methyl-2-phenylthieno[2,3-h]quinazolin-5-yl)-3-(trifluoromethyl)-2-pyridinyl]silane?
The IUPAC name of (4,6-diphenyl-2-pyridinyl)-dimethyl-[6-(8-methyl-2-phenylthieno[2,3-h]quinazolin-5-yl)-3-(trifluoromethyl)-2-pyridinyl]silane (CID 165168033) is (4,6-diphenyl-2-pyridinyl)-dimethyl-[6-(8-methyl-2-phenylthieno[2,3-h]quinazolin-5-yl)-3-(trifluoromethyl)-2-pyridinyl]silane.
What is the SMILES notation for (4,6-diphenyl-2-pyridinyl)-dimethyl-[6-(8-methyl-2-phenylthieno[2,3-h]quinazolin-5-yl)-3-(trifluoromethyl)-2-pyridinyl]silane?
The canonical SMILES for (4,6-diphenyl-2-pyridinyl)-dimethyl-[6-(8-methyl-2-phenylthieno[2,3-h]quinazolin-5-yl)-3-(trifluoromethyl)-2-pyridinyl]silane is Cc1cc2c(cc(-c3ccc(C(F)(F)F)c([Si](C)(C)c4cc(-c5ccccc5)cc(-c5ccccc5)n4)n3)c3cnc(-c4ccccc4)nc32)s1.
What is the InChIKey of (4,6-diphenyl-2-pyridinyl)-dimethyl-[6-(8-methyl-2-phenylthieno[2,3-h]quinazolin-5-yl)-3-(trifluoromethyl)-2-pyridinyl]silane?
The InChIKey is USEBJXABYPZUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31F3N4SSi/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/h4-25H,1-3H3.
What are the key properties of (4,6-diphenyl-2-pyridinyl)-dimethyl-[6-(8-methyl-2-phenylthieno[2,3-h]quinazolin-5-yl)-3-(trifluoromethyl)-2-pyridinyl]silane?
(4,6-diphenyl-2-pyridinyl)-dimethyl-[6-(8-methyl-2-phenylthieno[2,3-h]quinazolin-5-yl)-3-(trifluoromethyl)-2-pyridinyl]silane has a molecular weight of 708.89 g/mol, XLogP of 10.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-diphenyl-2-pyridinyl)-dimethyl-[6-(8-methyl-2-phenylthieno[2,3-h]quinazolin-5-yl)-3-(trifluoromethyl)-2-pyridinyl]silane is sourced from PubChem (CID 165168033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).