3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole

C42H50Si — CID 101405789

IUPAC3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole
SMILESCC(C)c1cccc(C(C)C)c1C1=C(c2ccccc2)[Si](C)(C)C(c2ccccc2)=C1c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C42H50Si/c1-27(2)33-23-17-24-34(28(3)4)37(33)39-40(38-35(29(5)6)25-18-26-36(38)30(7)8)42(32-21-15-12-16-22-32)43(9,10)41(39)31-19-13-11-14-20-31/h11-30H,1-10H3
InChIKeyRSMLSICAQRYDHY-UHFFFAOYSA-N
MW582.95 g/mol
LogP12.50
Rot. Bonds8

About 3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole

3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole (PubChem CID 101405789) has the molecular formula C42H50Si and a molecular weight of 582.95 g/mol. Its IUPAC name is 3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole.

Molecular Properties

Compound Name3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole
PubChem CID101405789
Molecular FormulaC42H50Si
Molecular Weight582.95 g/mol
Exact Mass582.37
IUPAC Name3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole
SMILESCC(C)c1cccc(C(C)C)c1C1=C(c2ccccc2)[Si](C)(C)C(c2ccccc2)=C1c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C42H50Si/c1-27(2)33-23-17-24-34(28(3)4)37(33)39-40(38-35(29(5)6)25-18-26-36(38)30(7)8)42(32-21-15-12-16-22-32)43(9,10)41(39)31-19-13-11-14-20-31/h11-30H,1-10H3
InChIKeyRSMLSICAQRYDHY-UHFFFAOYSA-N
XLogP12.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.95
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1,2,5-tetraphenylsilole
CID 11988816
1,1-dimethyl-2,3,4,5-tetraphenylsilole
CID 139118741
1,2-diphenyl-3-propan-2-ylbenzene
CID 20568657
2-phenyl-3-propan-2-ylphenol
CID 54177325
2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene
CID 154591625
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole
CID 54302855
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
2,4-diphenyl-1,3,5-tri(propan-2-yl)benzene
CID 158905708
(2-phenyl-3-propan-2-ylphenyl) propanoate
CID 90033984
1,3,5-triphenyl-2,4,6-tri(propan-2-yl)benzene
CID 175984465
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole?
The IUPAC name of 3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole (CID 101405789) is 3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole.
What is the SMILES notation for 3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole?
The canonical SMILES for 3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole is CC(C)c1cccc(C(C)C)c1C1=C(c2ccccc2)[Si](C)(C)C(c2ccccc2)=C1c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole?
The InChIKey is RSMLSICAQRYDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H50Si/c1-27(2)33-23-17-24-34(28(3)4)37(33)39-40(38-35(29(5)6)25-18-26-36(38)30(7)8)42(32-21-15-12-16-22-32)43(9,10)41(39)31-19-13-11-14-20-31/h11-30H,1-10H3.
What are the key properties of 3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole?
3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole has a molecular weight of 582.95 g/mol, XLogP of 12.50, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole is sourced from PubChem (CID 101405789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).