5,5-diphenyl-2,8-bis(2,4,6-trimethylphenyl)benzo[b][1]benzosilole

C42H38Si — CID 177091641

IUPAC5,5-diphenyl-2,8-bis(2,4,6-trimethylphenyl)benzo[b][1]benzosilole
SMILESCc1cc(C)c(-c2ccc3c(c2)-c2cc(-c4c(C)cc(C)cc4C)ccc2[Si]3(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C42H38Si/c1-27-21-29(3)41(30(4)22-27)33-17-19-39-37(25-33)38-26-34(42-31(5)23-28(2)24-32(42)6)18-20-40(38)43(39,35-13-9-7-10-14-35)36-15-11-8-12-16-36/h7-26H,1-6H3
InChIKeyHDGNFTCCAFWHLE-UHFFFAOYSA-N
MW570.85 g/mol
LogP8.23
Rot. Bonds4

About 5,5-diphenyl-2,8-bis(2,4,6-trimethylphenyl)benzo[b][1]benzosilole

5,5-diphenyl-2,8-bis(2,4,6-trimethylphenyl)benzo[b][1]benzosilole (PubChem CID 177091641) has the molecular formula C42H38Si and a molecular weight of 570.85 g/mol. Its IUPAC name is 5,5-diphenyl-2,8-bis(2,4,6-trimethylphenyl)benzo[b][1]benzosilole.

Molecular Properties

Compound Name5,5-diphenyl-2,8-bis(2,4,6-trimethylphenyl)benzo[b][1]benzosilole
PubChem CID177091641
Molecular FormulaC42H38Si
Molecular Weight570.85 g/mol
Exact Mass570.27
IUPAC Name5,5-diphenyl-2,8-bis(2,4,6-trimethylphenyl)benzo[b][1]benzosilole
SMILESCc1cc(C)c(-c2ccc3c(c2)-c2cc(-c4c(C)cc(C)cc4C)ccc2[Si]3(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C42H38Si/c1-27-21-29(3)41(30(4)22-27)33-17-19-39-37(25-33)38-26-34(42-31(5)23-28(2)24-32(42)6)18-20-40(38)43(39,35-13-9-7-10-14-35)36-15-11-8-12-16-36/h7-26H,1-6H3
InChIKeyHDGNFTCCAFWHLE-UHFFFAOYSA-N
XLogP8.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.85
LogP ≤ 58.23
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

2,8-bis(3,5-diphenylphenyl)-5,5-diphenylbenzo[b][1]benzosilole
CID 58971395
2,3,7,8-tetramethyl-5,5-diphenylbenzo[b][1]benzosilole
CID 59096237
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
CID 153488427
5-(2-methylphenyl)-5-phenylbenzo[b][1]benzosilole
CID 58711206
[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane
CID 140719840
3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole
CID 59167435
4-phenyl-2,6-bis(2,4,6-trimethylphenyl)phenol
CID 140656741
2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene
CID 177091653
1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene
CID 168751305
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium
CID 174651733

Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-2,8-bis(2,4,6-trimethylphenyl)benzo[b][1]benzosilole?
The IUPAC name of 5,5-diphenyl-2,8-bis(2,4,6-trimethylphenyl)benzo[b][1]benzosilole (CID 177091641) is 5,5-diphenyl-2,8-bis(2,4,6-trimethylphenyl)benzo[b][1]benzosilole.
What is the SMILES notation for 5,5-diphenyl-2,8-bis(2,4,6-trimethylphenyl)benzo[b][1]benzosilole?
The canonical SMILES for 5,5-diphenyl-2,8-bis(2,4,6-trimethylphenyl)benzo[b][1]benzosilole is Cc1cc(C)c(-c2ccc3c(c2)-c2cc(-c4c(C)cc(C)cc4C)ccc2[Si]3(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of 5,5-diphenyl-2,8-bis(2,4,6-trimethylphenyl)benzo[b][1]benzosilole?
The InChIKey is HDGNFTCCAFWHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38Si/c1-27-21-29(3)41(30(4)22-27)33-17-19-39-37(25-33)38-26-34(42-31(5)23-28(2)24-32(42)6)18-20-40(38)43(39,35-13-9-7-10-14-35)36-15-11-8-12-16-36/h7-26H,1-6H3.
What are the key properties of 5,5-diphenyl-2,8-bis(2,4,6-trimethylphenyl)benzo[b][1]benzosilole?
5,5-diphenyl-2,8-bis(2,4,6-trimethylphenyl)benzo[b][1]benzosilole has a molecular weight of 570.85 g/mol, XLogP of 8.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-2,8-bis(2,4,6-trimethylphenyl)benzo[b][1]benzosilole is sourced from PubChem (CID 177091641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).