CID 173192555

C38H40Cl2O4SiZr — CID 173192555

IUPAC—
SMILESCOc1ccc(-c2cccc3[cH-]c(C)cc23)c(OC)c1.COc1ccc(-c2cccc3[cH-]c(C)cc23)c(OC)c1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C18H17O2.C2H6Si.2ClH.Zr/c2*1-12-9-13-5-4-6-15(17(13)10-12)16-8-7-14(19-2)11-18(16)20-3;1-3-2;;;/h2*4-11H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyPOOXRWWVOGXEJN-UHFFFAOYSA-L
MW750.95 g/mol
LogP11.27
Rot. Bonds6

About CID 173192555

CID 173192555 (PubChem CID 173192555) has the molecular formula C38H40Cl2O4SiZr and a molecular weight of 750.95 g/mol.

Molecular Properties

Compound NameCID 173192555
PubChem CID173192555
Molecular FormulaC38H40Cl2O4SiZr
Molecular Weight750.95 g/mol
Exact Mass748.11
IUPAC Name—
SMILESCOc1ccc(-c2cccc3[cH-]c(C)cc23)c(OC)c1.COc1ccc(-c2cccc3[cH-]c(C)cc23)c(OC)c1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C18H17O2.C2H6Si.2ClH.Zr/c2*1-12-9-13-5-4-6-15(17(13)10-12)16-8-7-14(19-2)11-18(16)20-3;1-3-2;;;/h2*4-11H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyPOOXRWWVOGXEJN-UHFFFAOYSA-L
XLogP11.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.95
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 173192554
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
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CID 173192859
CID 173192859
3-(2,4-dimethoxyphenyl)-2-methylbenzoate
CID 86307310
2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride
CID 162036346
CID 173161432
CID 173161432
CID 173241804
CID 173241804
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
CID 173027319
CID 173027319
dichlorozirconium(2+);bis(9-methyl-3-(2-methyl-1H-inden-1-id-4-yl)carbazole)
CID 168786533
CID 173057300
CID 173057300

Frequently Asked Questions

What is the IUPAC name of CID 173192555?
The IUPAC name of CID 173192555 (CID 173192555) is not available.
What is the SMILES notation for CID 173192555?
The canonical SMILES for CID 173192555 is COc1ccc(-c2cccc3[cH-]c(C)cc23)c(OC)c1.COc1ccc(-c2cccc3[cH-]c(C)cc23)c(OC)c1.C[Si]C.Cl[Zr+2]Cl.
What is the InChIKey of CID 173192555?
The InChIKey is POOXRWWVOGXEJN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H17O2.C2H6Si.2ClH.Zr/c2*1-12-9-13-5-4-6-15(17(13)10-12)16-8-7-14(19-2)11-18(16)20-3;1-3-2;;;/h2*4-11H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173192555?
CID 173192555 has a molecular weight of 750.95 g/mol, XLogP of 11.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173192555 is sourced from PubChem (CID 173192555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).