2-methoxy-3,8-dimethyl-5,5,6,6-tetraphenylbenzo[c][1,2]benzodisiline

C39H34OSi2 — CID 59167389

IUPAC2-methoxy-3,8-dimethyl-5,5,6,6-tetraphenylbenzo[c][1,2]benzodisiline
SMILESCOc1cc2c(cc1C)[Si](c1ccccc1)(c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2
InChIInChI=1S/C39H34OSi2/c1-29-24-25-35-36-28-37(40-3)30(2)27-39(36)42(33-20-12-6-13-21-33,34-22-14-7-15-23-34)41(38(35)26-29,31-16-8-4-9-17-31)32-18-10-5-11-19-32/h4-28H,1-3H3
InChIKeyABMWLCVNSBKJMD-UHFFFAOYSA-N
MW574.87 g/mol
LogP5.01
Rot. Bonds5

About 2-methoxy-3,8-dimethyl-5,5,6,6-tetraphenylbenzo[c][1,2]benzodisiline

2-methoxy-3,8-dimethyl-5,5,6,6-tetraphenylbenzo[c][1,2]benzodisiline (PubChem CID 59167389) has the molecular formula C39H34OSi2 and a molecular weight of 574.87 g/mol. Its IUPAC name is 2-methoxy-3,8-dimethyl-5,5,6,6-tetraphenylbenzo[c][1,2]benzodisiline.

Molecular Properties

Compound Name2-methoxy-3,8-dimethyl-5,5,6,6-tetraphenylbenzo[c][1,2]benzodisiline
PubChem CID59167389
Molecular FormulaC39H34OSi2
Molecular Weight574.87 g/mol
Exact Mass574.21
IUPAC Name2-methoxy-3,8-dimethyl-5,5,6,6-tetraphenylbenzo[c][1,2]benzodisiline
SMILESCOc1cc2c(cc1C)[Si](c1ccccc1)(c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2
InChIInChI=1S/C39H34OSi2/c1-29-24-25-35-36-28-37(40-3)30(2)27-39(36)42(33-20-12-6-13-21-33,34-22-14-7-15-23-34)41(38(35)26-29,31-16-8-4-9-17-31)32-18-10-5-11-19-32/h4-28H,1-3H3
InChIKeyABMWLCVNSBKJMD-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.87
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole
CID 59167435
(5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole
CID 102487155
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
10-methoxy-5,9-dimethyl-7,7-diphenyl-[1]benzosilolo[3,2-f]quinoline
CID 59167350
5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
CID 176637820
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-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene
CID 20766185
17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 149181119
1-methoxy-2,4-dimethylbenzene;propane
CID 54037455
1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene
CID 10515507
2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene
CID 155698567
1-(2-bromophenyl)-2-methoxy-4-methylbenzene
CID 171366737

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,8-dimethyl-5,5,6,6-tetraphenylbenzo[c][1,2]benzodisiline?
The IUPAC name of 2-methoxy-3,8-dimethyl-5,5,6,6-tetraphenylbenzo[c][1,2]benzodisiline (CID 59167389) is 2-methoxy-3,8-dimethyl-5,5,6,6-tetraphenylbenzo[c][1,2]benzodisiline.
What is the SMILES notation for 2-methoxy-3,8-dimethyl-5,5,6,6-tetraphenylbenzo[c][1,2]benzodisiline?
The canonical SMILES for 2-methoxy-3,8-dimethyl-5,5,6,6-tetraphenylbenzo[c][1,2]benzodisiline is COc1cc2c(cc1C)[Si](c1ccccc1)(c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2.
What is the InChIKey of 2-methoxy-3,8-dimethyl-5,5,6,6-tetraphenylbenzo[c][1,2]benzodisiline?
The InChIKey is ABMWLCVNSBKJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34OSi2/c1-29-24-25-35-36-28-37(40-3)30(2)27-39(36)42(33-20-12-6-13-21-33,34-22-14-7-15-23-34)41(38(35)26-29,31-16-8-4-9-17-31)32-18-10-5-11-19-32/h4-28H,1-3H3.
What are the key properties of 2-methoxy-3,8-dimethyl-5,5,6,6-tetraphenylbenzo[c][1,2]benzodisiline?
2-methoxy-3,8-dimethyl-5,5,6,6-tetraphenylbenzo[c][1,2]benzodisiline has a molecular weight of 574.87 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,8-dimethyl-5,5,6,6-tetraphenylbenzo[c][1,2]benzodisiline is sourced from PubChem (CID 59167389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).