CID 173190100

C46H56SiZr — CID 173190100

IUPAC—
SMILESCCC(C)c1ccccc1-c1cccc2[cH-]c(C(C)C)cc12.CCC(C)c1ccccc1-c1cccc2[cH-]c(C(C)C)cc12.C[Si]C.[Zr+2]
InChIInChI=1S/2C22H25.C2H6Si.Zr/c2*1-5-16(4)19-10-6-7-11-20(19)21-12-8-9-17-13-18(15(2)3)14-22(17)21;1-3-2;/h2*6-16H,5H2,1-4H3;1-2H3;/q2*-1;;+2
InChIKeyRTMTWCKVGPMKHN-UHFFFAOYSA-N
MW728.26 g/mol
LogP14.51
Rot. Bonds8

About CID 173190100

CID 173190100 (PubChem CID 173190100) has the molecular formula C46H56SiZr and a molecular weight of 728.26 g/mol.

Molecular Properties

Compound NameCID 173190100
PubChem CID173190100
Molecular FormulaC46H56SiZr
Molecular Weight728.26 g/mol
Exact Mass726.32
IUPAC Name—
SMILESCCC(C)c1ccccc1-c1cccc2[cH-]c(C(C)C)cc12.CCC(C)c1ccccc1-c1cccc2[cH-]c(C(C)C)cc12.C[Si]C.[Zr+2]
InChIInChI=1S/2C22H25.C2H6Si.Zr/c2*1-5-16(4)19-10-6-7-11-20(19)21-12-8-9-17-13-18(15(2)3)14-22(17)21;1-3-2;/h2*6-16H,5H2,1-4H3;1-2H3;/q2*-1;;+2
InChIKeyRTMTWCKVGPMKHN-UHFFFAOYSA-N
XLogP14.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.26
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Frequently Asked Questions

What is the IUPAC name of CID 173190100?
The IUPAC name of CID 173190100 (CID 173190100) is not available.
What is the SMILES notation for CID 173190100?
The canonical SMILES for CID 173190100 is CCC(C)c1ccccc1-c1cccc2[cH-]c(C(C)C)cc12.CCC(C)c1ccccc1-c1cccc2[cH-]c(C(C)C)cc12.C[Si]C.[Zr+2].
What is the InChIKey of CID 173190100?
The InChIKey is RTMTWCKVGPMKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H25.C2H6Si.Zr/c2*1-5-16(4)19-10-6-7-11-20(19)21-12-8-9-17-13-18(15(2)3)14-22(17)21;1-3-2;/h2*6-16H,5H2,1-4H3;1-2H3;/q2*-1;;+2.
What are the key properties of CID 173190100?
CID 173190100 has a molecular weight of 728.26 g/mol, XLogP of 14.51, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173190100 is sourced from PubChem (CID 173190100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).