dibromo-naphthalen-1-yl-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)silane

C38H52Br2Si — CID 102529230

IUPACdibromo-naphthalen-1-yl-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)silane
SMILESCCC1(CC)CC(CC)(CC)c2c1cc1c(c2[Si](Br)(Br)c2cccc3ccccc23)C(CC)(CC)CC1(CC)CC
InChIInChI=1S/C38H52Br2Si/c1-9-35(10-2)25-37(13-5,14-6)32-29(35)24-30-33(38(15-7,16-8)26-36(30,11-3)12-4)34(32)41(39,40)31-23-19-21-27-20-17-18-22-28(27)31/h17-24H,9-16,25-26H2,1-8H3
InChIKeyNBAKLPPYHIOJSW-UHFFFAOYSA-N
MW696.73 g/mol
LogP11.22
Rot. Bonds10

About dibromo-naphthalen-1-yl-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)silane

dibromo-naphthalen-1-yl-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)silane (PubChem CID 102529230) has the molecular formula C38H52Br2Si and a molecular weight of 696.73 g/mol. Its IUPAC name is dibromo-naphthalen-1-yl-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)silane.

Molecular Properties

Compound Namedibromo-naphthalen-1-yl-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)silane
PubChem CID102529230
Molecular FormulaC38H52Br2Si
Molecular Weight696.73 g/mol
Exact Mass694.22
IUPAC Namedibromo-naphthalen-1-yl-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)silane
SMILESCCC1(CC)CC(CC)(CC)c2c1cc1c(c2[Si](Br)(Br)c2cccc3ccccc23)C(CC)(CC)CC1(CC)CC
InChIInChI=1S/C38H52Br2Si/c1-9-35(10-2)25-37(13-5,14-6)32-29(35)24-30-33(38(15-7,16-8)26-36(30,11-3)12-4)34(32)41(39,40)31-23-19-21-27-20-17-18-22-28(27)31/h17-24H,9-16,25-26H2,1-8H3
InChIKeyNBAKLPPYHIOJSW-UHFFFAOYSA-N
XLogP11.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.73
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibromo-naphthalen-1-yl-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)silane?
The IUPAC name of dibromo-naphthalen-1-yl-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)silane (CID 102529230) is dibromo-naphthalen-1-yl-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)silane.
What is the SMILES notation for dibromo-naphthalen-1-yl-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)silane?
The canonical SMILES for dibromo-naphthalen-1-yl-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)silane is CCC1(CC)CC(CC)(CC)c2c1cc1c(c2[Si](Br)(Br)c2cccc3ccccc23)C(CC)(CC)CC1(CC)CC.
What is the InChIKey of dibromo-naphthalen-1-yl-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)silane?
The InChIKey is NBAKLPPYHIOJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H52Br2Si/c1-9-35(10-2)25-37(13-5,14-6)32-29(35)24-30-33(38(15-7,16-8)26-36(30,11-3)12-4)34(32)41(39,40)31-23-19-21-27-20-17-18-22-28(27)31/h17-24H,9-16,25-26H2,1-8H3.
What are the key properties of dibromo-naphthalen-1-yl-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)silane?
dibromo-naphthalen-1-yl-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)silane has a molecular weight of 696.73 g/mol, XLogP of 11.22, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromo-naphthalen-1-yl-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)silane is sourced from PubChem (CID 102529230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).