3,7-dimethyl-2,8-dipentoxy-5,5-bis(4-pentylphenyl)benzo[b][1]benzosilole

C46H62O2Si — CID 59167384

IUPAC3,7-dimethyl-2,8-dipentoxy-5,5-bis(4-pentylphenyl)benzo[b][1]benzosilole
SMILESCCCCCOc1cc2c(cc1C)[Si](c1ccc(CCCCC)cc1)(c1ccc(CCCCC)cc1)c1cc(C)c(OCCCCC)cc1-2
InChIInChI=1S/C46H62O2Si/c1-7-11-15-19-37-21-25-39(26-22-37)49(40-27-23-38(24-28-40)20-16-12-8-2)45-31-35(5)43(47-29-17-13-9-3)33-41(45)42-34-44(36(6)32-46(42)49)48-30-18-14-10-4/h21-28,31-34H,7-20,29-30H2,1-6H3
InChIKeyJBDFSPNOSXAVKH-UHFFFAOYSA-N
MW675.09 g/mol
LogP10.26
Rot. Bonds20

About 3,7-dimethyl-2,8-dipentoxy-5,5-bis(4-pentylphenyl)benzo[b][1]benzosilole

3,7-dimethyl-2,8-dipentoxy-5,5-bis(4-pentylphenyl)benzo[b][1]benzosilole (PubChem CID 59167384) has the molecular formula C46H62O2Si and a molecular weight of 675.09 g/mol. Its IUPAC name is 3,7-dimethyl-2,8-dipentoxy-5,5-bis(4-pentylphenyl)benzo[b][1]benzosilole.

Molecular Properties

Compound Name3,7-dimethyl-2,8-dipentoxy-5,5-bis(4-pentylphenyl)benzo[b][1]benzosilole
PubChem CID59167384
Molecular FormulaC46H62O2Si
Molecular Weight675.09 g/mol
Exact Mass674.45
IUPAC Name3,7-dimethyl-2,8-dipentoxy-5,5-bis(4-pentylphenyl)benzo[b][1]benzosilole
SMILESCCCCCOc1cc2c(cc1C)[Si](c1ccc(CCCCC)cc1)(c1ccc(CCCCC)cc1)c1cc(C)c(OCCCCC)cc1-2
InChIInChI=1S/C46H62O2Si/c1-7-11-15-19-37-21-25-39(26-22-37)49(40-27-23-38(24-28-40)20-16-12-8-2)45-31-35(5)43(47-29-17-13-9-3)33-41(45)42-34-44(36(6)32-46(42)49)48-30-18-14-10-4/h21-28,31-34H,7-20,29-30H2,1-6H3
InChIKeyJBDFSPNOSXAVKH-UHFFFAOYSA-N
XLogP10.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.09
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,7-dimethyl-2,8-dipentoxy-5,5-bis(4-pentylphenyl)benzo[b][1]benzosilole 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

3,8-dimethyl-2,9-dipentoxy-5,5-bis(4-pentoxyphenyl)-6,6-bis(4-pentylphenyl)benzo[c][1,2]benzodisiline
CID 59096238
4-(3,8-dimethyl-2,9-dipentoxy-5,5,6-tripyridin-4-ylbenzo[c][1,2]benzodisilin-6-yl)pyridine
CID 59167493
5-N,5-N,5-N',5-N',6-N,6-N,6-N',6-N'-octaethyl-3,8-dimethyl-2,9-dipentoxybenzo[c][1,2]benzodisiline-5,5,6,6-tetramine
CID 59167400
3,8-dimethyl-2,9-dipentoxy-5,5,6,6-tetraphenoxybenzo[c][1,2]benzodisiline
CID 59167408
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
3-[6-[3,7-dimethyl-5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]oxyhexyl]-2,2-dimethyl-1-phenylaziridine
CID 158748708
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
1-butyl-4-nonylbenzene
CID 59545302
1-hexoxy-4-pentylbenzene
CID 54277450
1,4-dimethyl-2-pentoxybenzene
CID 59184214
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
2-fluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene
CID 101490841

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-2,8-dipentoxy-5,5-bis(4-pentylphenyl)benzo[b][1]benzosilole?
The IUPAC name of 3,7-dimethyl-2,8-dipentoxy-5,5-bis(4-pentylphenyl)benzo[b][1]benzosilole (CID 59167384) is 3,7-dimethyl-2,8-dipentoxy-5,5-bis(4-pentylphenyl)benzo[b][1]benzosilole.
What is the SMILES notation for 3,7-dimethyl-2,8-dipentoxy-5,5-bis(4-pentylphenyl)benzo[b][1]benzosilole?
The canonical SMILES for 3,7-dimethyl-2,8-dipentoxy-5,5-bis(4-pentylphenyl)benzo[b][1]benzosilole is CCCCCOc1cc2c(cc1C)[Si](c1ccc(CCCCC)cc1)(c1ccc(CCCCC)cc1)c1cc(C)c(OCCCCC)cc1-2.
What is the InChIKey of 3,7-dimethyl-2,8-dipentoxy-5,5-bis(4-pentylphenyl)benzo[b][1]benzosilole?
The InChIKey is JBDFSPNOSXAVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H62O2Si/c1-7-11-15-19-37-21-25-39(26-22-37)49(40-27-23-38(24-28-40)20-16-12-8-2)45-31-35(5)43(47-29-17-13-9-3)33-41(45)42-34-44(36(6)32-46(42)49)48-30-18-14-10-4/h21-28,31-34H,7-20,29-30H2,1-6H3.
What are the key properties of 3,7-dimethyl-2,8-dipentoxy-5,5-bis(4-pentylphenyl)benzo[b][1]benzosilole?
3,7-dimethyl-2,8-dipentoxy-5,5-bis(4-pentylphenyl)benzo[b][1]benzosilole has a molecular weight of 675.09 g/mol, XLogP of 10.26, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2,8-dipentoxy-5,5-bis(4-pentylphenyl)benzo[b][1]benzosilole is sourced from PubChem (CID 59167384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).