CID 159922030

C42H37Cl2GeHf — CID 159922030

IUPAC—
SMILESC[GeH]C.Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C20H15.C2H7Ge.2ClH.Hf/c2*1-14-12-16-8-5-11-19(20(16)13-14)18-10-4-7-15-6-2-3-9-17(15)18;1-3-2;;;/h2*2-13H,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyRUYMSSDRJKSTFG-UHFFFAOYSA-L
MW863.76 g/mol
LogP5.90
Rot. Bonds2

About CID 159922030

CID 159922030 (PubChem CID 159922030) has the molecular formula C42H37Cl2GeHf and a molecular weight of 863.76 g/mol.

Molecular Properties

Compound NameCID 159922030
PubChem CID159922030
Molecular FormulaC42H37Cl2GeHf
Molecular Weight863.76 g/mol
Exact Mass865.09
IUPAC Name—
SMILESC[GeH]C.Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C20H15.C2H7Ge.2ClH.Hf/c2*1-14-12-16-8-5-11-19(20(16)13-14)18-10-4-7-15-6-2-3-9-17(15)18;1-3-2;;;/h2*2-13H,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyRUYMSSDRJKSTFG-UHFFFAOYSA-L
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.76
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 159922030?
The IUPAC name of CID 159922030 (CID 159922030) is not available.
What is the SMILES notation for CID 159922030?
The canonical SMILES for CID 159922030 is C[GeH]C.Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of CID 159922030?
The InChIKey is RUYMSSDRJKSTFG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C20H15.C2H7Ge.2ClH.Hf/c2*1-14-12-16-8-5-11-19(20(16)13-14)18-10-4-7-15-6-2-3-9-17(15)18;1-3-2;;;/h2*2-13H,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 159922030?
CID 159922030 has a molecular weight of 863.76 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159922030 is sourced from PubChem (CID 159922030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).