CID 173162550

C80H90Hf2Si2-10 — CID 173162550

IUPAC—
SMILESCCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.C[Si].C[Si].[CH2-]CCCC[CH2-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf]
InChIInChI=1S/4C17H15.C6H12.2CH3Si.4CH3.2Hf/c4*1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;1-3-5-6-4-2;2*1-2;;;;;;/h4*3-12H,2H2,1H3;1-6H2;2*1H3;4*1H3;;/q4*-1;-2;;;4*-1;;
InChIKeyJOBADBCISWMSRD-UHFFFAOYSA-N
MW1464.75 g/mol
LogP23.57
Rot. Bonds11

About CID 173162550

CID 173162550 (PubChem CID 173162550) has the molecular formula C80H90Hf2Si2-10 and a molecular weight of 1464.75 g/mol.

Molecular Properties

Compound NameCID 173162550
PubChem CID173162550
Molecular FormulaC80H90Hf2Si2-10
Molecular Weight1464.75 g/mol
Exact Mass1466.56
IUPAC Name—
SMILESCCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.C[Si].C[Si].[CH2-]CCCC[CH2-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf]
InChIInChI=1S/4C17H15.C6H12.2CH3Si.4CH3.2Hf/c4*1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;1-3-5-6-4-2;2*1-2;;;;;;/h4*3-12H,2H2,1H3;1-6H2;2*1H3;4*1H3;;/q4*-1;-2;;;4*-1;;
InChIKeyJOBADBCISWMSRD-UHFFFAOYSA-N
XLogP23.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001464.75
LogP ≤ 523.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane
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CID 87823190
CID 173313790
CID 173313790
2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 22485940
tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride
CID 18365664
tris(2-ethyl-4-phenyl-1H-inden-1-ide);tris(zirconium(2+));trifluoride
CID 18365661
dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide
CID 173177411
CID 87865734
CID 87865734
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18008267
dimethylsilylidenezirconium(2+);bis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18433941
dichloro(ethylidene)zirconium;bis(2-ethyl-4-phenyl-1H-inden-1-ide)
CID 87216524

Frequently Asked Questions

What is the IUPAC name of CID 173162550?
The IUPAC name of CID 173162550 (CID 173162550) is not available.
What is the SMILES notation for CID 173162550?
The canonical SMILES for CID 173162550 is CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.C[Si].C[Si].[CH2-]CCCC[CH2-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].
What is the InChIKey of CID 173162550?
The InChIKey is JOBADBCISWMSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C17H15.C6H12.2CH3Si.4CH3.2Hf/c4*1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;1-3-5-6-4-2;2*1-2;;;;;;/h4*3-12H,2H2,1H3;1-6H2;2*1H3;4*1H3;;/q4*-1;-2;;;4*-1;;.
What are the key properties of CID 173162550?
CID 173162550 has a molecular weight of 1464.75 g/mol, XLogP of 23.57, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173162550 is sourced from PubChem (CID 173162550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).