1-tert-butyl-2,5-bis(3-methoxyphenyl)-1,3,4-triphenylsilole

C40H38O2Si — CID 18792409

IUPAC1-tert-butyl-2,5-bis(3-methoxyphenyl)-1,3,4-triphenylsilole
SMILESCOc1cccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3cccc(OC)c3)[Si]2(c2ccccc2)C(C)(C)C)c1
InChIInChI=1S/C40H38O2Si/c1-40(2,3)43(35-25-13-8-14-26-35)38(31-21-15-23-33(27-31)41-4)36(29-17-9-6-10-18-29)37(30-19-11-7-12-20-30)39(43)32-22-16-24-34(28-32)42-5/h6-28H,1-5H3
InChIKeyKEPWUCRNOWNWCP-UHFFFAOYSA-N
MW578.83 g/mol
LogP9.47
Rot. Bonds7

About 1-tert-butyl-2,5-bis(3-methoxyphenyl)-1,3,4-triphenylsilole

1-tert-butyl-2,5-bis(3-methoxyphenyl)-1,3,4-triphenylsilole (PubChem CID 18792409) has the molecular formula C40H38O2Si and a molecular weight of 578.83 g/mol. Its IUPAC name is 1-tert-butyl-2,5-bis(3-methoxyphenyl)-1,3,4-triphenylsilole.

Molecular Properties

Compound Name1-tert-butyl-2,5-bis(3-methoxyphenyl)-1,3,4-triphenylsilole
PubChem CID18792409
Molecular FormulaC40H38O2Si
Molecular Weight578.83 g/mol
Exact Mass578.26
IUPAC Name1-tert-butyl-2,5-bis(3-methoxyphenyl)-1,3,4-triphenylsilole
SMILESCOc1cccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3cccc(OC)c3)[Si]2(c2ccccc2)C(C)(C)C)c1
InChIInChI=1S/C40H38O2Si/c1-40(2,3)43(35-25-13-8-14-26-35)38(31-21-15-23-33(27-31)41-4)36(29-17-9-6-10-18-29)37(30-19-11-7-12-20-30)39(43)32-22-16-24-34(28-32)42-5/h6-28H,1-5H3
InChIKeyKEPWUCRNOWNWCP-UHFFFAOYSA-N
XLogP9.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.83
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-2,5-bis(3-methoxyphenyl)-1,3,4-triphenylsilole 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

azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole
CID 14661892
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
2-(3-methoxyphenyl)-4,6-diphenylphosphinine
CID 102303596
1,3-dimethoxy-5-phenylbenzene
CID 11469945
2-[2-(3-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 39232932
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene
CID 101491428
4-(3-methoxyphenyl)-N,N-diphenylaniline
CID 175141155
azane;1,3-dimethoxybenzene
CID 70210283

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,5-bis(3-methoxyphenyl)-1,3,4-triphenylsilole?
The IUPAC name of 1-tert-butyl-2,5-bis(3-methoxyphenyl)-1,3,4-triphenylsilole (CID 18792409) is 1-tert-butyl-2,5-bis(3-methoxyphenyl)-1,3,4-triphenylsilole.
What is the SMILES notation for 1-tert-butyl-2,5-bis(3-methoxyphenyl)-1,3,4-triphenylsilole?
The canonical SMILES for 1-tert-butyl-2,5-bis(3-methoxyphenyl)-1,3,4-triphenylsilole is COc1cccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3cccc(OC)c3)[Si]2(c2ccccc2)C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-2,5-bis(3-methoxyphenyl)-1,3,4-triphenylsilole?
The InChIKey is KEPWUCRNOWNWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38O2Si/c1-40(2,3)43(35-25-13-8-14-26-35)38(31-21-15-23-33(27-31)41-4)36(29-17-9-6-10-18-29)37(30-19-11-7-12-20-30)39(43)32-22-16-24-34(28-32)42-5/h6-28H,1-5H3.
What are the key properties of 1-tert-butyl-2,5-bis(3-methoxyphenyl)-1,3,4-triphenylsilole?
1-tert-butyl-2,5-bis(3-methoxyphenyl)-1,3,4-triphenylsilole has a molecular weight of 578.83 g/mol, XLogP of 9.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,5-bis(3-methoxyphenyl)-1,3,4-triphenylsilole is sourced from PubChem (CID 18792409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).