CID 173312560

C36H41Cl2SnZr — CID 173312560

IUPAC—
SMILESCCCC[SnH]CCCC.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cl[Zr+2]Cl
InChIInChI=1S/2C14H11.2C4H9.2ClH.Sn.Zr.H/c2*1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;2*1-3-4-2;;;;;/h2*2-7H,9H2,1H3;2*1,3-4H2,2H3;2*1H;;;/q2*-1;;;;;;+4;/p-2
InChIKeyZDRWKWWAKUNGJD-UHFFFAOYSA-L
MW754.57 g/mol
LogP10.97
Rot. Bonds6

About CID 173312560

CID 173312560 (PubChem CID 173312560) has the molecular formula C36H41Cl2SnZr and a molecular weight of 754.57 g/mol.

Molecular Properties

Compound NameCID 173312560
PubChem CID173312560
Molecular FormulaC36H41Cl2SnZr
Molecular Weight754.57 g/mol
Exact Mass753.07
IUPAC Name—
SMILESCCCC[SnH]CCCC.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cl[Zr+2]Cl
InChIInChI=1S/2C14H11.2C4H9.2ClH.Sn.Zr.H/c2*1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;2*1-3-4-2;;;;;/h2*2-7H,9H2,1H3;2*1,3-4H2,2H3;2*1H;;;/q2*-1;;;;;;+4;/p-2
InChIKeyZDRWKWWAKUNGJD-UHFFFAOYSA-L
XLogP10.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.57
LogP ≤ 510.97
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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Related Compounds

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bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride
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CID 174331013
bis(9H-fluorene);pentane
CID 159146463
9H-fluorene;henicosane
CID 174789372
bis(9H-fluorene);methane;pentane
CID 158815702
bis(2,7-ditert-butyl-4-methyl-1,9-dihydrofluoren-1-ide);bis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(4+));tetrachloride
CID 161372658
CID 173188085
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CID 173188127

Frequently Asked Questions

What is the IUPAC name of CID 173312560?
The IUPAC name of CID 173312560 (CID 173312560) is not available.
What is the SMILES notation for CID 173312560?
The canonical SMILES for CID 173312560 is CCCC[SnH]CCCC.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cl[Zr+2]Cl.
What is the InChIKey of CID 173312560?
The InChIKey is ZDRWKWWAKUNGJD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H11.2C4H9.2ClH.Sn.Zr.H/c2*1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;2*1-3-4-2;;;;;/h2*2-7H,9H2,1H3;2*1,3-4H2,2H3;2*1H;;;/q2*-1;;;;;;+4;/p-2.
What are the key properties of CID 173312560?
CID 173312560 has a molecular weight of 754.57 g/mol, XLogP of 10.97, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173312560 is sourced from PubChem (CID 173312560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).