1-(7-butyl-2-methyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride

C48H48Cl2SiZr-2 — CID 159830116

IUPAC1-(7-butyl-2-methyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride
SMILESCC(C)c1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CCCCc1ccc(-c2cccc3ccccc23)c2cc(C)[cH-]c12.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/C24H23.C22H19.C2H6Si.2ClH.Zr/c1-3-4-8-19-13-14-22(24-16-17(2)15-23(19)24)21-12-7-10-18-9-5-6-11-20(18)21;1-15(2)18-13-17-9-6-12-21(22(17)14-18)20-11-5-8-16-7-3-4-10-19(16)20;1-3-2;;;/h5-7,9-16H,3-4,8H2,1-2H3;3-15H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyOYMWJAUOGSYHMA-UHFFFAOYSA-L
MW815.13 g/mol
LogP8.32
Rot. Bonds6

About 1-(7-butyl-2-methyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride

1-(7-butyl-2-methyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride (PubChem CID 159830116) has the molecular formula C48H48Cl2SiZr-2 and a molecular weight of 815.13 g/mol. Its IUPAC name is 1-(7-butyl-2-methyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride.

Molecular Properties

Compound Name1-(7-butyl-2-methyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride
PubChem CID159830116
Molecular FormulaC48H48Cl2SiZr-2
Molecular Weight815.13 g/mol
Exact Mass812.20
IUPAC Name1-(7-butyl-2-methyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride
SMILESCC(C)c1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CCCCc1ccc(-c2cccc3ccccc23)c2cc(C)[cH-]c12.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/C24H23.C22H19.C2H6Si.2ClH.Zr/c1-3-4-8-19-13-14-22(24-16-17(2)15-23(19)24)21-12-7-10-18-9-5-6-11-20(18)21;1-15(2)18-13-17-9-6-12-21(22(17)14-18)20-11-5-8-16-7-3-4-10-19(16)20;1-3-2;;;/h5-7,9-16H,3-4,8H2,1-2H3;3-15H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyOYMWJAUOGSYHMA-UHFFFAOYSA-L
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.13
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(7-butyl-2-methyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride 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

7-butyl-4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
CID 159321483
dimethylsilylidenezirconium(2+);1-(7-methyl-2-pentyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride
CID 160963311
1-(2,7-dimethyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);4-(3-methylphenyl)-2-propan-2-yl-1H-inden-1-ide;dichloride
CID 158823228
1-(7-chloro-2-methyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;zirconium(4+);dichloride
CID 87421410
CID 87935490
CID 87935490
CID 87188683
CID 87188683
CID 87188426
CID 87188426
CID 173027545
CID 173027545
CID 173027512
CID 173027512
CID 173190253
CID 173190253
2-butan-2-yl-4-phenyl-1H-inden-1-ide;2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
CID 159487976
CID 87189232
CID 87189232

Frequently Asked Questions

What is the IUPAC name of 1-(7-butyl-2-methyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride?
The IUPAC name of 1-(7-butyl-2-methyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride (CID 159830116) is 1-(7-butyl-2-methyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride.
What is the SMILES notation for 1-(7-butyl-2-methyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride?
The canonical SMILES for 1-(7-butyl-2-methyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride is CC(C)c1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CCCCc1ccc(-c2cccc3ccccc23)c2cc(C)[cH-]c12.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of 1-(7-butyl-2-methyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride?
The InChIKey is OYMWJAUOGSYHMA-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H23.C22H19.C2H6Si.2ClH.Zr/c1-3-4-8-19-13-14-22(24-16-17(2)15-23(19)24)21-12-7-10-18-9-5-6-11-20(18)21;1-15(2)18-13-17-9-6-12-21(22(17)14-18)20-11-5-8-16-7-3-4-10-19(16)20;1-3-2;;;/h5-7,9-16H,3-4,8H2,1-2H3;3-15H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of 1-(7-butyl-2-methyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride?
1-(7-butyl-2-methyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride has a molecular weight of 815.13 g/mol, XLogP of 8.32, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-butyl-2-methyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride is sourced from PubChem (CID 159830116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).