2,2-diphenylethenyl-[10-[2,2-diphenylethenyl(dimethyl)silyl]-7-oxo-7-phenyl-3,11-dithia-7λ5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-dimethylsilane

C46H41OPS2Si2 — CID 101390796

IUPAC2,2-diphenylethenyl-[10-[2,2-diphenylethenyl(dimethyl)silyl]-7-oxo-7-phenyl-3,11-dithia-7λ5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-dimethylsilane
SMILESC[Si](C)(C=C(c1ccccc1)c1ccccc1)c1cc2c(s1)-c1sc([Si](C)(C)C=C(c3ccccc3)c3ccccc3)cc1P2(=O)c1ccccc1
InChIInChI=1S/C46H41OPS2Si2/c1-51(2,32-39(34-20-10-5-11-21-34)35-22-12-6-13-23-35)43-30-41-45(49-43)46-42(48(41,47)38-28-18-9-19-29-38)31-44(50-46)52(3,4)33-40(36-24-14-7-15-25-36)37-26-16-8-17-27-37/h5-33H,1-4H3
InChIKeyHCMUZELXAGNANH-UHFFFAOYSA-N
MW761.11 g/mol
LogP10.60
Rot. Bonds9

About 2,2-diphenylethenyl-[10-[2,2-diphenylethenyl(dimethyl)silyl]-7-oxo-7-phenyl-3,11-dithia-7λ5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-dimethylsilane

2,2-diphenylethenyl-[10-[2,2-diphenylethenyl(dimethyl)silyl]-7-oxo-7-phenyl-3,11-dithia-7λ5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-dimethylsilane (PubChem CID 101390796) has the molecular formula C46H41OPS2Si2 and a molecular weight of 761.11 g/mol. Its IUPAC name is 2,2-diphenylethenyl-[10-[2,2-diphenylethenyl(dimethyl)silyl]-7-oxo-7-phenyl-3,11-dithia-7λ5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-dimethylsilane.

Molecular Properties

Compound Name2,2-diphenylethenyl-[10-[2,2-diphenylethenyl(dimethyl)silyl]-7-oxo-7-phenyl-3,11-dithia-7λ5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-dimethylsilane
PubChem CID101390796
Molecular FormulaC46H41OPS2Si2
Molecular Weight761.11 g/mol
Exact Mass760.19
IUPAC Name2,2-diphenylethenyl-[10-[2,2-diphenylethenyl(dimethyl)silyl]-7-oxo-7-phenyl-3,11-dithia-7λ5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-dimethylsilane
SMILESC[Si](C)(C=C(c1ccccc1)c1ccccc1)c1cc2c(s1)-c1sc([Si](C)(C)C=C(c3ccccc3)c3ccccc3)cc1P2(=O)c1ccccc1
InChIInChI=1S/C46H41OPS2Si2/c1-51(2,32-39(34-20-10-5-11-21-34)35-22-12-6-13-23-35)43-30-41-45(49-43)46-42(48(41,47)38-28-18-9-19-29-38)31-44(50-46)52(3,4)33-40(36-24-14-7-15-25-36)37-26-16-8-17-27-37/h5-33H,1-4H3
InChIKeyHCMUZELXAGNANH-UHFFFAOYSA-N
XLogP10.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.11
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-diphenylethenyl-[10-[2,2-diphenylethenyl(dimethyl)silyl]-7-oxo-7-phenyl-3,11-dithia-7λ5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-2-(4-iodophenyl)-2-phenylethenyl]-dimethyl-phenylsilane
CID 101465859
7-phenyl-4-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]-3,11-dithia-7λ5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene 7-oxide
CID 102042431
10-oxo-10-phenylphenoxaphosphinine-2,3,7,8-tetracarboxylic acid
CID 100921752
5-oxo-5-phenylbenzo[b]phosphindole-2,8-disulfonic acid
CID 101209121
11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide
CID 134395999
trimethyl(2,5,5-triphenylpenta-1,4-dienyl)silane
CID 601377
[(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane
CID 10250621
2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide
CID 59167240
10-phenyl-5H-phenophosphazinine 10-oxide
CID 12550143
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-phenyl-10-thia-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 21-oxide
CID 153292089
8,14,22-triphenyl-5,11,17-tri(propan-2-yl)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 8,14,22-trioxide
CID 153424856
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylbenzo[b][1,4]benzothiaphosphinine 10-oxide
CID 153291853

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenylethenyl-[10-[2,2-diphenylethenyl(dimethyl)silyl]-7-oxo-7-phenyl-3,11-dithia-7λ5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-dimethylsilane?
The IUPAC name of 2,2-diphenylethenyl-[10-[2,2-diphenylethenyl(dimethyl)silyl]-7-oxo-7-phenyl-3,11-dithia-7λ5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-dimethylsilane (CID 101390796) is 2,2-diphenylethenyl-[10-[2,2-diphenylethenyl(dimethyl)silyl]-7-oxo-7-phenyl-3,11-dithia-7λ5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-dimethylsilane.
What is the SMILES notation for 2,2-diphenylethenyl-[10-[2,2-diphenylethenyl(dimethyl)silyl]-7-oxo-7-phenyl-3,11-dithia-7λ5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-dimethylsilane?
The canonical SMILES for 2,2-diphenylethenyl-[10-[2,2-diphenylethenyl(dimethyl)silyl]-7-oxo-7-phenyl-3,11-dithia-7λ5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-dimethylsilane is C[Si](C)(C=C(c1ccccc1)c1ccccc1)c1cc2c(s1)-c1sc([Si](C)(C)C=C(c3ccccc3)c3ccccc3)cc1P2(=O)c1ccccc1.
What is the InChIKey of 2,2-diphenylethenyl-[10-[2,2-diphenylethenyl(dimethyl)silyl]-7-oxo-7-phenyl-3,11-dithia-7λ5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-dimethylsilane?
The InChIKey is HCMUZELXAGNANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41OPS2Si2/c1-51(2,32-39(34-20-10-5-11-21-34)35-22-12-6-13-23-35)43-30-41-45(49-43)46-42(48(41,47)38-28-18-9-19-29-38)31-44(50-46)52(3,4)33-40(36-24-14-7-15-25-36)37-26-16-8-17-27-37/h5-33H,1-4H3.
What are the key properties of 2,2-diphenylethenyl-[10-[2,2-diphenylethenyl(dimethyl)silyl]-7-oxo-7-phenyl-3,11-dithia-7λ5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-dimethylsilane?
2,2-diphenylethenyl-[10-[2,2-diphenylethenyl(dimethyl)silyl]-7-oxo-7-phenyl-3,11-dithia-7λ5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-dimethylsilane has a molecular weight of 761.11 g/mol, XLogP of 10.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylethenyl-[10-[2,2-diphenylethenyl(dimethyl)silyl]-7-oxo-7-phenyl-3,11-dithia-7λ5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-dimethylsilane is sourced from PubChem (CID 101390796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).