CID 173192863

C48H46Cl2P2SiZr — CID 173192863

IUPAC—
SMILESCCc1cc2c(P(c3ccccc3)c3ccccc3)cccc2[cH-]1.CCc1cc2c(P(c3ccccc3)c3ccccc3)cccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C23H20P.C2H6Si.2ClH.Zr/c2*1-2-18-16-19-10-9-15-23(22(19)17-18)24(20-11-5-3-6-12-20)21-13-7-4-8-14-21;1-3-2;;;/h2*3-17H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyUWUUMPFRJOLVFL-UHFFFAOYSA-L
MW875.06 g/mol
LogP11.92
Rot. Bonds8

About CID 173192863

CID 173192863 (PubChem CID 173192863) has the molecular formula C48H46Cl2P2SiZr and a molecular weight of 875.06 g/mol.

Molecular Properties

Compound NameCID 173192863
PubChem CID173192863
Molecular FormulaC48H46Cl2P2SiZr
Molecular Weight875.06 g/mol
Exact Mass872.13
IUPAC Name—
SMILESCCc1cc2c(P(c3ccccc3)c3ccccc3)cccc2[cH-]1.CCc1cc2c(P(c3ccccc3)c3ccccc3)cccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C23H20P.C2H6Si.2ClH.Zr/c2*1-2-18-16-19-10-9-15-23(22(19)17-18)24(20-11-5-3-6-12-20)21-13-7-4-8-14-21;1-3-2;;;/h2*3-17H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyUWUUMPFRJOLVFL-UHFFFAOYSA-L
XLogP11.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.06
LogP ≤ 511.92
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173192863?
The IUPAC name of CID 173192863 (CID 173192863) is not available.
What is the SMILES notation for CID 173192863?
The canonical SMILES for CID 173192863 is CCc1cc2c(P(c3ccccc3)c3ccccc3)cccc2[cH-]1.CCc1cc2c(P(c3ccccc3)c3ccccc3)cccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl.
What is the InChIKey of CID 173192863?
The InChIKey is UWUUMPFRJOLVFL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C23H20P.C2H6Si.2ClH.Zr/c2*1-2-18-16-19-10-9-15-23(22(19)17-18)24(20-11-5-3-6-12-20)21-13-7-4-8-14-21;1-3-2;;;/h2*3-17H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173192863?
CID 173192863 has a molecular weight of 875.06 g/mol, XLogP of 11.92, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173192863 is sourced from PubChem (CID 173192863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).