(3,3-dimethyl-2-phenylbut-1-enylidene)-bis[2,4,6-tri(propan-2-yl)phenyl]silane

C42H60Si — CID 10864890

IUPAC(3,3-dimethyl-2-phenylbut-1-enylidene)-bis[2,4,6-tri(propan-2-yl)phenyl]silane
SMILESCC(C)c1cc(C(C)C)c([Si](=C=C(c2ccccc2)C(C)(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C42H60Si/c1-26(2)33-21-35(28(5)6)40(36(22-33)29(7)8)43(25-39(42(13,14)15)32-19-17-16-18-20-32)41-37(30(9)10)23-34(27(3)4)24-38(41)31(11)12/h16-24,26-31H,1-15H3
InChIKeyDPUQNVZLXLYAEY-UHFFFAOYSA-N
MW593.03 g/mol
LogP11.15
Rot. Bonds9

About (3,3-dimethyl-2-phenylbut-1-enylidene)-bis[2,4,6-tri(propan-2-yl)phenyl]silane

(3,3-dimethyl-2-phenylbut-1-enylidene)-bis[2,4,6-tri(propan-2-yl)phenyl]silane (PubChem CID 10864890) has the molecular formula C42H60Si and a molecular weight of 593.03 g/mol. Its IUPAC name is (3,3-dimethyl-2-phenylbut-1-enylidene)-bis[2,4,6-tri(propan-2-yl)phenyl]silane.

Molecular Properties

Compound Name(3,3-dimethyl-2-phenylbut-1-enylidene)-bis[2,4,6-tri(propan-2-yl)phenyl]silane
PubChem CID10864890
Molecular FormulaC42H60Si
Molecular Weight593.03 g/mol
Exact Mass592.45
IUPAC Name(3,3-dimethyl-2-phenylbut-1-enylidene)-bis[2,4,6-tri(propan-2-yl)phenyl]silane
SMILESCC(C)c1cc(C(C)C)c([Si](=C=C(c2ccccc2)C(C)(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C42H60Si/c1-26(2)33-21-35(28(5)6)40(36(22-33)29(7)8)43(25-39(42(13,14)15)32-19-17-16-18-20-32)41-37(30(9)10)23-34(27(3)4)24-38(41)31(11)12/h16-24,26-31H,1-15H3
InChIKeyDPUQNVZLXLYAEY-UHFFFAOYSA-N
XLogP11.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.03
LogP ≤ 511.15
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

M-Terphenyl
CID 7076
Triphenylmethane
CID 10614
1,1,1-Triphenylethane
CID 78926
2,4,6-Triphenyl-1-hexene
CID 177033
1,1,2-Triphenylethane
CID 137054
Benzene, bis(phenylmethyl)-
CID 121648
Benzene, 1,1',1''-(1,3,5,5-tetramethyl-1-pentene-1,3,5-triyl)tris-
CID 86847
4,6-Dimethyl-2,4,6-triphenyl-1-heptene
CID 112502
Methylbis(phenylmethyl)benzene
CID 3034397
Benzene, 1-(1-methylethyl)-3-(1-phenylethyl)-
CID 18506591
Dowtherm Q
CID 20040691
Benzene, 1,3-bis(1-phenylethenyl)-
CID 118622

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2-phenylbut-1-enylidene)-bis[2,4,6-tri(propan-2-yl)phenyl]silane?
The IUPAC name of (3,3-dimethyl-2-phenylbut-1-enylidene)-bis[2,4,6-tri(propan-2-yl)phenyl]silane (CID 10864890) is (3,3-dimethyl-2-phenylbut-1-enylidene)-bis[2,4,6-tri(propan-2-yl)phenyl]silane.
What is the SMILES notation for (3,3-dimethyl-2-phenylbut-1-enylidene)-bis[2,4,6-tri(propan-2-yl)phenyl]silane?
The canonical SMILES for (3,3-dimethyl-2-phenylbut-1-enylidene)-bis[2,4,6-tri(propan-2-yl)phenyl]silane is CC(C)c1cc(C(C)C)c([Si](=C=C(c2ccccc2)C(C)(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.
What is the InChIKey of (3,3-dimethyl-2-phenylbut-1-enylidene)-bis[2,4,6-tri(propan-2-yl)phenyl]silane?
The InChIKey is DPUQNVZLXLYAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H60Si/c1-26(2)33-21-35(28(5)6)40(36(22-33)29(7)8)43(25-39(42(13,14)15)32-19-17-16-18-20-32)41-37(30(9)10)23-34(27(3)4)24-38(41)31(11)12/h16-24,26-31H,1-15H3.
What are the key properties of (3,3-dimethyl-2-phenylbut-1-enylidene)-bis[2,4,6-tri(propan-2-yl)phenyl]silane?
(3,3-dimethyl-2-phenylbut-1-enylidene)-bis[2,4,6-tri(propan-2-yl)phenyl]silane has a molecular weight of 593.03 g/mol, XLogP of 11.15, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2-phenylbut-1-enylidene)-bis[2,4,6-tri(propan-2-yl)phenyl]silane is sourced from PubChem (CID 10864890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).