CID 173312572

C72H82Cl2Hf2Sn2-6 — CID 173312572

IUPAC—
SMILESCCCC[SnH]CCCC.CCCC[SnH]CCCC.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.[Cl-].[Cl-].[Hf].[Hf]
InChIInChI=1S/4C14H11.4C4H9.2ClH.2Hf.2Sn.2H/c4*1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;4*1-3-4-2;;;;;;;;/h4*2-7H,9H2,1H3;4*1,3-4H2,2H3;2*1H;;;;;;/q4*-1;;;;;;;;;;;;/p-2
InChIKeyOHESSGRRSXISAB-UHFFFAOYSA-L
MW1612.76 g/mol
LogP13.19
Rot. Bonds12

About CID 173312572

CID 173312572 (PubChem CID 173312572) has the molecular formula C72H82Cl2Hf2Sn2-6 and a molecular weight of 1612.76 g/mol.

Molecular Properties

Compound NameCID 173312572
PubChem CID173312572
Molecular FormulaC72H82Cl2Hf2Sn2-6
Molecular Weight1612.76 g/mol
Exact Mass1616.28
IUPAC Name—
SMILESCCCC[SnH]CCCC.CCCC[SnH]CCCC.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.[Cl-].[Cl-].[Hf].[Hf]
InChIInChI=1S/4C14H11.4C4H9.2ClH.2Hf.2Sn.2H/c4*1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;4*1-3-4-2;;;;;;;;/h4*2-7H,9H2,1H3;4*1,3-4H2,2H3;2*1H;;;;;;/q4*-1;;;;;;;;;;;;/p-2
InChIKeyOHESSGRRSXISAB-UHFFFAOYSA-L
XLogP13.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001612.76
LogP ≤ 513.19
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 173312572?
The IUPAC name of CID 173312572 (CID 173312572) is not available.
What is the SMILES notation for CID 173312572?
The canonical SMILES for CID 173312572 is CCCC[SnH]CCCC.CCCC[SnH]CCCC.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.[Cl-].[Cl-].[Hf].[Hf].
What is the InChIKey of CID 173312572?
The InChIKey is OHESSGRRSXISAB-UHFFFAOYSA-L. The full InChI is InChI=1S/4C14H11.4C4H9.2ClH.2Hf.2Sn.2H/c4*1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;4*1-3-4-2;;;;;;;;/h4*2-7H,9H2,1H3;4*1,3-4H2,2H3;2*1H;;;;;;/q4*-1;;;;;;;;;;;;/p-2.
What are the key properties of CID 173312572?
CID 173312572 has a molecular weight of 1612.76 g/mol, XLogP of 13.19, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173312572 is sourced from PubChem (CID 173312572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).