dimethylsilylidenehafnium(2+);bis(4-naphthalen-1-yl-2-propyl-4,5-dihydro-1H-azulen-1-ide);dichloride

C48H48Cl2HfSi-2 — CID 159539095

IUPACdimethylsilylidenehafnium(2+);bis(4-naphthalen-1-yl-2-propyl-4,5-dihydro-1H-azulen-1-ide);dichloride
SMILESCCCC1=[C-]C2=CC=CCC(c3cccc4ccccc34)C2=C1.CCCC1=[C-]C2=CC=CCC(c3cccc4ccccc34)C2=C1.C[Si](C)=[Hf+2].[Cl-].[Cl-]
InChIInChI=1S/2C23H21.C2H6Si.2ClH.Hf/c2*1-2-8-17-15-19-10-4-6-13-22(23(19)16-17)21-14-7-11-18-9-3-5-12-20(18)21;1-3-2;;;/h2*3-7,9-12,14,16,22H,2,8,13H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyYXAXVSQTWUMJTJ-UHFFFAOYSA-L
MW902.39 g/mol
LogP7.35
Rot. Bonds6

About dimethylsilylidenehafnium(2+);bis(4-naphthalen-1-yl-2-propyl-4,5-dihydro-1H-azulen-1-ide);dichloride

dimethylsilylidenehafnium(2+);bis(4-naphthalen-1-yl-2-propyl-4,5-dihydro-1H-azulen-1-ide);dichloride (PubChem CID 159539095) has the molecular formula C48H48Cl2HfSi-2 and a molecular weight of 902.39 g/mol. Its IUPAC name is dimethylsilylidenehafnium(2+);bis(4-naphthalen-1-yl-2-propyl-4,5-dihydro-1H-azulen-1-ide);dichloride.

Molecular Properties

Compound Namedimethylsilylidenehafnium(2+);bis(4-naphthalen-1-yl-2-propyl-4,5-dihydro-1H-azulen-1-ide);dichloride
PubChem CID159539095
Molecular FormulaC48H48Cl2HfSi-2
Molecular Weight902.39 g/mol
Exact Mass902.24
IUPAC Namedimethylsilylidenehafnium(2+);bis(4-naphthalen-1-yl-2-propyl-4,5-dihydro-1H-azulen-1-ide);dichloride
SMILESCCCC1=[C-]C2=CC=CCC(c3cccc4ccccc34)C2=C1.CCCC1=[C-]C2=CC=CCC(c3cccc4ccccc34)C2=C1.C[Si](C)=[Hf+2].[Cl-].[Cl-]
InChIInChI=1S/2C23H21.C2H6Si.2ClH.Hf/c2*1-2-8-17-15-19-10-4-6-13-22(23(19)16-17)21-14-7-11-18-9-3-5-12-20(18)21;1-3-2;;;/h2*3-7,9-12,14,16,22H,2,8,13H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyYXAXVSQTWUMJTJ-UHFFFAOYSA-L
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.39
LogP ≤ 57.35
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 dimethylsilylidenehafnium(2+);bis(4-naphthalen-1-yl-2-propyl-4,5-dihydro-1H-azulen-1-ide);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

dimethylsilylidenehafnium(2+);bis(9-(2-ethyl-4,5-dihydro-1H-azulen-1-id-4-yl)anthracene);dichloride
CID 162024056
bis(4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-azulen-1-ide);dimethylsilylidenehafnium(2+);dichloride
CID 159431385
benzhydrylidenehafnium(2+);bis(2-ethyl-4-(3-fluoro-4-phenylphenyl)-4,5-dihydro-1H-azulen-1-ide);dichloride
CID 88592608
4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-azulen-1-ide;zirconium(3+);dichloride
CID 87651848
1-(2-ethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)naphthalene
CID 57180728
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(6-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
CID 89110917
10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene
CID 159798458
2-naphthalen-1-yl-4-propyl-2H-furan-5-one
CID 101086940
3-naphthalen-1-yloxetan-2-one
CID 154509652
N-[(2-naphthalen-1-ylcyclohexyl)methyl]ethanamine
CID 81028125
1-(2-methyl-4,5,6,7-tetrahydro-1H-inden-1-id-4-yl)naphthalene;zirconium(3+);dichloride
CID 159508374
ethane;(2-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)boronic acid
CID 143742417

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenehafnium(2+);bis(4-naphthalen-1-yl-2-propyl-4,5-dihydro-1H-azulen-1-ide);dichloride?
The IUPAC name of dimethylsilylidenehafnium(2+);bis(4-naphthalen-1-yl-2-propyl-4,5-dihydro-1H-azulen-1-ide);dichloride (CID 159539095) is dimethylsilylidenehafnium(2+);bis(4-naphthalen-1-yl-2-propyl-4,5-dihydro-1H-azulen-1-ide);dichloride.
What is the SMILES notation for dimethylsilylidenehafnium(2+);bis(4-naphthalen-1-yl-2-propyl-4,5-dihydro-1H-azulen-1-ide);dichloride?
The canonical SMILES for dimethylsilylidenehafnium(2+);bis(4-naphthalen-1-yl-2-propyl-4,5-dihydro-1H-azulen-1-ide);dichloride is CCCC1=[C-]C2=CC=CCC(c3cccc4ccccc34)C2=C1.CCCC1=[C-]C2=CC=CCC(c3cccc4ccccc34)C2=C1.C[Si](C)=[Hf+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenehafnium(2+);bis(4-naphthalen-1-yl-2-propyl-4,5-dihydro-1H-azulen-1-ide);dichloride?
The InChIKey is YXAXVSQTWUMJTJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C23H21.C2H6Si.2ClH.Hf/c2*1-2-8-17-15-19-10-4-6-13-22(23(19)16-17)21-14-7-11-18-9-3-5-12-20(18)21;1-3-2;;;/h2*3-7,9-12,14,16,22H,2,8,13H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenehafnium(2+);bis(4-naphthalen-1-yl-2-propyl-4,5-dihydro-1H-azulen-1-ide);dichloride?
dimethylsilylidenehafnium(2+);bis(4-naphthalen-1-yl-2-propyl-4,5-dihydro-1H-azulen-1-ide);dichloride has a molecular weight of 902.39 g/mol, XLogP of 7.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenehafnium(2+);bis(4-naphthalen-1-yl-2-propyl-4,5-dihydro-1H-azulen-1-ide);dichloride is sourced from PubChem (CID 159539095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).