trimethyl-[phenyl-[1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disiliran-3-ylidene]methyl]silane

C47H58Si3 — CID 13057955

IUPACtrimethyl-[phenyl-[1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disiliran-3-ylidene]methyl]silane
SMILESCc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)C(=C(c3ccccc3)[Si](C)(C)C)[Si]2(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C47H58Si3/c1-29-21-33(5)42(34(6)22-29)49(43-35(7)23-30(2)24-36(43)8)47(46(48(13,14)15)41-19-17-16-18-20-41)50(49,44-37(9)25-31(3)26-38(44)10)45-39(11)27-32(4)28-40(45)12/h16-28H,1-15H3
InChIKeyIBHWRFYZEYFTHU-UHFFFAOYSA-N
MW707.24 g/mol
LogP9.72
Rot. Bonds6

About trimethyl-[phenyl-[1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disiliran-3-ylidene]methyl]silane

trimethyl-[phenyl-[1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disiliran-3-ylidene]methyl]silane (PubChem CID 13057955) has the molecular formula C47H58Si3 and a molecular weight of 707.24 g/mol. Its IUPAC name is trimethyl-[phenyl-[1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disiliran-3-ylidene]methyl]silane.

Molecular Properties

Compound Nametrimethyl-[phenyl-[1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disiliran-3-ylidene]methyl]silane
PubChem CID13057955
Molecular FormulaC47H58Si3
Molecular Weight707.24 g/mol
Exact Mass706.38
IUPAC Nametrimethyl-[phenyl-[1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disiliran-3-ylidene]methyl]silane
SMILESCc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)C(=C(c3ccccc3)[Si](C)(C)C)[Si]2(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C47H58Si3/c1-29-21-33(5)42(34(6)22-29)49(43-35(7)23-30(2)24-36(43)8)47(46(48(13,14)15)41-19-17-16-18-20-41)50(49,44-37(9)25-31(3)26-38(44)10)45-39(11)27-32(4)28-40(45)12/h16-28H,1-15H3
InChIKeyIBHWRFYZEYFTHU-UHFFFAOYSA-N
XLogP9.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.24
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-phenyl-2-(2,4,6-trimethylphenyl)propan-1-one
CID 15629610
1,3,5-trimethyl-2-[phenyl(sulfinyl)methyl]benzene
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ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
1-phenyl-2,2,3,3-tetrakis(2,4,6-trimethylphenyl)azadisiliridine
CID 15632733
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
CID 11803799
CID 11803799
2-iodosyl-1,3,5-trimethylbenzene dibenzoate
CID 22159621
1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane
CID 71427220
(E)-1-phenyl-3-(2,4,6-trimethylphenyl)-2-trimethylsilylhex-2-en-1-one
CID 154824599
(Diphenylmethylidene)(2,4,6-trimethylphenyl)-lambda~5~-phosphanone
CID 71327088
(3Z)-6-methyl-3-[phenyl(trimethylsilyl)methylidene]chromen-4-one
CID 102490296
2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene
CID 12611498

Frequently Asked Questions

What is the IUPAC name of trimethyl-[phenyl-[1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disiliran-3-ylidene]methyl]silane?
The IUPAC name of trimethyl-[phenyl-[1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disiliran-3-ylidene]methyl]silane (CID 13057955) is trimethyl-[phenyl-[1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disiliran-3-ylidene]methyl]silane.
What is the SMILES notation for trimethyl-[phenyl-[1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disiliran-3-ylidene]methyl]silane?
The canonical SMILES for trimethyl-[phenyl-[1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disiliran-3-ylidene]methyl]silane is Cc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)C(=C(c3ccccc3)[Si](C)(C)C)[Si]2(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of trimethyl-[phenyl-[1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disiliran-3-ylidene]methyl]silane?
The InChIKey is IBHWRFYZEYFTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H58Si3/c1-29-21-33(5)42(34(6)22-29)49(43-35(7)23-30(2)24-36(43)8)47(46(48(13,14)15)41-19-17-16-18-20-41)50(49,44-37(9)25-31(3)26-38(44)10)45-39(11)27-32(4)28-40(45)12/h16-28H,1-15H3.
What are the key properties of trimethyl-[phenyl-[1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disiliran-3-ylidene]methyl]silane?
trimethyl-[phenyl-[1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disiliran-3-ylidene]methyl]silane has a molecular weight of 707.24 g/mol, XLogP of 9.72, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[phenyl-[1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disiliran-3-ylidene]methyl]silane is sourced from PubChem (CID 13057955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).