trimethyl-(5,9,10-trimethyl-7-phenyl-3,11-dithia-7-bismatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)silane

C20H23BiS2Si — CID 161230223

IUPACtrimethyl-(5,9,10-trimethyl-7-phenyl-3,11-dithia-7-bismatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)silane
SMILESCc1sc2c(c1C)[Bi](c1ccccc1)c1c-2sc([Si](C)(C)C)c1C
InChIInChI=1S/C14H18S2Si.C6H5.Bi/c1-9-7-12(15-11(9)3)13-8-10(2)14(16-13)17(4,5)6;1-2-4-6-5-3-1;/h1-6H3;1-5H;
InChIKeyVEMORBHZZLLRDS-UHFFFAOYSA-N
MW564.60 g/mol
LogP3.78
Rot. Bonds2

About trimethyl-(5,9,10-trimethyl-7-phenyl-3,11-dithia-7-bismatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)silane

trimethyl-(5,9,10-trimethyl-7-phenyl-3,11-dithia-7-bismatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)silane (PubChem CID 161230223) has the molecular formula C20H23BiS2Si and a molecular weight of 564.60 g/mol. Its IUPAC name is trimethyl-(5,9,10-trimethyl-7-phenyl-3,11-dithia-7-bismatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)silane.

Molecular Properties

Compound Nametrimethyl-(5,9,10-trimethyl-7-phenyl-3,11-dithia-7-bismatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)silane
PubChem CID161230223
Molecular FormulaC20H23BiS2Si
Molecular Weight564.60 g/mol
Exact Mass564.08
IUPAC Nametrimethyl-(5,9,10-trimethyl-7-phenyl-3,11-dithia-7-bismatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)silane
SMILESCc1sc2c(c1C)[Bi](c1ccccc1)c1c-2sc([Si](C)(C)C)c1C
InChIInChI=1S/C14H18S2Si.C6H5.Bi/c1-9-7-12(15-11(9)3)13-8-10(2)14(16-13)17(4,5)6;1-2-4-6-5-3-1;/h1-6H3;1-5H;
InChIKeyVEMORBHZZLLRDS-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.60
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-(5,9,10-trimethyl-7-phenyl-3,11-dithia-7-bismatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)silane with MolForge

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Related Compounds

2,5-bis[4-(3,4-dimethyl-5-phenylthiophen-2-yl)phenyl]-3,4-dimethylthiophene
CID 59718202
2-chloro-4-methyl-5-phenylthiophen-3-amine
CID 114749336
(2,3-dimethyl-1-benzothiophen-5-yl)-trimethylsilane
CID 168837360
4-bromo-2-methyl-5-phenyl-1,3-thiazole
CID 86189921
(4,5-dimethyl-2-phenylthiophen-3-yl)-(4-methylphenyl)methanone
CID 132519427
10-phenylbenzo[b][1,4]benzothiabismine
CID 140603927
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
(4,5-dimethyl-3-prop-2-enylthiophen-2-yl)-trimethylsilane
CID 174932900
2,3,4-trimethyl-5-(2-phenylethynyl)thiophene
CID 118582739
tetramethylsilane;trimethyl(phenyl)silane
CID 161005748
trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane
CID 102189384
trimethyl-[2-(trifluoromethylsulfanyl)pyrrol-1-yl]silane
CID 71383298

Frequently Asked Questions

What is the IUPAC name of trimethyl-(5,9,10-trimethyl-7-phenyl-3,11-dithia-7-bismatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)silane?
The IUPAC name of trimethyl-(5,9,10-trimethyl-7-phenyl-3,11-dithia-7-bismatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)silane (CID 161230223) is trimethyl-(5,9,10-trimethyl-7-phenyl-3,11-dithia-7-bismatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)silane.
What is the SMILES notation for trimethyl-(5,9,10-trimethyl-7-phenyl-3,11-dithia-7-bismatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)silane?
The canonical SMILES for trimethyl-(5,9,10-trimethyl-7-phenyl-3,11-dithia-7-bismatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)silane is Cc1sc2c(c1C)[Bi](c1ccccc1)c1c-2sc([Si](C)(C)C)c1C.
What is the InChIKey of trimethyl-(5,9,10-trimethyl-7-phenyl-3,11-dithia-7-bismatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)silane?
The InChIKey is VEMORBHZZLLRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18S2Si.C6H5.Bi/c1-9-7-12(15-11(9)3)13-8-10(2)14(16-13)17(4,5)6;1-2-4-6-5-3-1;/h1-6H3;1-5H;.
What are the key properties of trimethyl-(5,9,10-trimethyl-7-phenyl-3,11-dithia-7-bismatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)silane?
trimethyl-(5,9,10-trimethyl-7-phenyl-3,11-dithia-7-bismatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)silane has a molecular weight of 564.60 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(5,9,10-trimethyl-7-phenyl-3,11-dithia-7-bismatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)silane is sourced from PubChem (CID 161230223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).