1,3,5-trimethyl-6-(2,4,6-trimethylphenyl)-5-[5,7,9-trimethyl-3-(2,4,6-trimethylphenyl)benzo[b][1]benzosilol-5-yl]benzo[b][1]benzosilole

C48H50Si2 — CID 101253068

IUPAC1,3,5-trimethyl-6-(2,4,6-trimethylphenyl)-5-[5,7,9-trimethyl-3-(2,4,6-trimethylphenyl)benzo[b][1]benzosilol-5-yl]benzo[b][1]benzosilole
SMILESCc1cc(C)c(-c2ccc3c(c2)[Si](C)([Si]2(C)c4cc(C)cc(C)c4-c4cccc(-c5c(C)cc(C)cc5C)c42)c2cc(C)cc(C)c2-3)c(C)c1
InChIInChI=1S/C48H50Si2/c1-27-18-31(5)44(32(6)19-27)37-16-17-38-41(26-37)49(11,42-24-29(3)22-35(9)46(38)42)50(12)43-25-30(4)23-36(10)47(43)40-15-13-14-39(48(40)50)45-33(7)20-28(2)21-34(45)8/h13-26H,1-12H3
InChIKeyKSXOKQMCLCOSIA-UHFFFAOYSA-N
MW683.10 g/mol
LogP10.23
Rot. Bonds3

About 1,3,5-trimethyl-6-(2,4,6-trimethylphenyl)-5-[5,7,9-trimethyl-3-(2,4,6-trimethylphenyl)benzo[b][1]benzosilol-5-yl]benzo[b][1]benzosilole

1,3,5-trimethyl-6-(2,4,6-trimethylphenyl)-5-[5,7,9-trimethyl-3-(2,4,6-trimethylphenyl)benzo[b][1]benzosilol-5-yl]benzo[b][1]benzosilole (PubChem CID 101253068) has the molecular formula C48H50Si2 and a molecular weight of 683.10 g/mol. Its IUPAC name is 1,3,5-trimethyl-6-(2,4,6-trimethylphenyl)-5-[5,7,9-trimethyl-3-(2,4,6-trimethylphenyl)benzo[b][1]benzosilol-5-yl]benzo[b][1]benzosilole.

Molecular Properties

Compound Name1,3,5-trimethyl-6-(2,4,6-trimethylphenyl)-5-[5,7,9-trimethyl-3-(2,4,6-trimethylphenyl)benzo[b][1]benzosilol-5-yl]benzo[b][1]benzosilole
PubChem CID101253068
Molecular FormulaC48H50Si2
Molecular Weight683.10 g/mol
Exact Mass682.35
IUPAC Name1,3,5-trimethyl-6-(2,4,6-trimethylphenyl)-5-[5,7,9-trimethyl-3-(2,4,6-trimethylphenyl)benzo[b][1]benzosilol-5-yl]benzo[b][1]benzosilole
SMILESCc1cc(C)c(-c2ccc3c(c2)[Si](C)([Si]2(C)c4cc(C)cc(C)c4-c4cccc(-c5c(C)cc(C)cc5C)c42)c2cc(C)cc(C)c2-3)c(C)c1
InChIInChI=1S/C48H50Si2/c1-27-18-31(5)44(32(6)19-27)37-16-17-38-41(26-37)49(11,42-24-29(3)22-35(9)46(38)42)50(12)43-25-30(4)23-36(10)47(43)40-15-13-14-39(48(40)50)45-33(7)20-28(2)21-34(45)8/h13-26H,1-12H3
InChIKeyKSXOKQMCLCOSIA-UHFFFAOYSA-N
XLogP10.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.10
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3,5-trimethyl-6-(2,4,6-trimethylphenyl)-5-[5,7,9-trimethyl-3-(2,4,6-trimethylphenyl)benzo[b][1]benzosilol-5-yl]benzo[b][1]benzosilole with MolForge

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Related Compounds

CID 137158148
CID 137158148
2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
CID 132518583
CID 134905872
CID 134905872
9,9-dimethyl-2-(2,4,6-trimethylphenyl)fluorene
CID 176635457
5,5-diphenyl-2,8-bis(2,4,6-trimethylphenyl)benzo[b][1]benzosilole
CID 177091641
2-[2-[[2,6-bis(2,4,6-trimethylphenyl)phenyl]ditellanyl]-3-(2,4,6-trimethylphenyl)phenyl]-1,3,5-trimethylbenzene
CID 101453137
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+)
CID 139137061
CID 166443587
CID 166443587
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+))
CID 139162852
CID 6394929
CID 6394929

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-6-(2,4,6-trimethylphenyl)-5-[5,7,9-trimethyl-3-(2,4,6-trimethylphenyl)benzo[b][1]benzosilol-5-yl]benzo[b][1]benzosilole?
The IUPAC name of 1,3,5-trimethyl-6-(2,4,6-trimethylphenyl)-5-[5,7,9-trimethyl-3-(2,4,6-trimethylphenyl)benzo[b][1]benzosilol-5-yl]benzo[b][1]benzosilole (CID 101253068) is 1,3,5-trimethyl-6-(2,4,6-trimethylphenyl)-5-[5,7,9-trimethyl-3-(2,4,6-trimethylphenyl)benzo[b][1]benzosilol-5-yl]benzo[b][1]benzosilole.
What is the SMILES notation for 1,3,5-trimethyl-6-(2,4,6-trimethylphenyl)-5-[5,7,9-trimethyl-3-(2,4,6-trimethylphenyl)benzo[b][1]benzosilol-5-yl]benzo[b][1]benzosilole?
The canonical SMILES for 1,3,5-trimethyl-6-(2,4,6-trimethylphenyl)-5-[5,7,9-trimethyl-3-(2,4,6-trimethylphenyl)benzo[b][1]benzosilol-5-yl]benzo[b][1]benzosilole is Cc1cc(C)c(-c2ccc3c(c2)[Si](C)([Si]2(C)c4cc(C)cc(C)c4-c4cccc(-c5c(C)cc(C)cc5C)c42)c2cc(C)cc(C)c2-3)c(C)c1.
What is the InChIKey of 1,3,5-trimethyl-6-(2,4,6-trimethylphenyl)-5-[5,7,9-trimethyl-3-(2,4,6-trimethylphenyl)benzo[b][1]benzosilol-5-yl]benzo[b][1]benzosilole?
The InChIKey is KSXOKQMCLCOSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H50Si2/c1-27-18-31(5)44(32(6)19-27)37-16-17-38-41(26-37)49(11,42-24-29(3)22-35(9)46(38)42)50(12)43-25-30(4)23-36(10)47(43)40-15-13-14-39(48(40)50)45-33(7)20-28(2)21-34(45)8/h13-26H,1-12H3.
What are the key properties of 1,3,5-trimethyl-6-(2,4,6-trimethylphenyl)-5-[5,7,9-trimethyl-3-(2,4,6-trimethylphenyl)benzo[b][1]benzosilol-5-yl]benzo[b][1]benzosilole?
1,3,5-trimethyl-6-(2,4,6-trimethylphenyl)-5-[5,7,9-trimethyl-3-(2,4,6-trimethylphenyl)benzo[b][1]benzosilol-5-yl]benzo[b][1]benzosilole has a molecular weight of 683.10 g/mol, XLogP of 10.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-6-(2,4,6-trimethylphenyl)-5-[5,7,9-trimethyl-3-(2,4,6-trimethylphenyl)benzo[b][1]benzosilol-5-yl]benzo[b][1]benzosilole is sourced from PubChem (CID 101253068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).