CID 174380720

C32H41Cl2SiTi-2 — CID 174380720

IUPAC—
SMILESCC(C)Cc1c[cH-]c(-c2ccccc2)c1.CC(C)Cc1c[cH-]c(-c2ccccc2)c1.C[SiH]C.Cl[Ti]Cl
InChIInChI=1S/2C15H17.C2H7Si.2ClH.Ti/c2*1-12(2)10-13-8-9-15(11-13)14-6-4-3-5-7-14;1-3-2;;;/h2*3-9,11-12H,10H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyPCQCMBWNJYKAPT-UHFFFAOYSA-L
MW572.54 g/mol
LogP10.44
Rot. Bonds6

About CID 174380720

CID 174380720 (PubChem CID 174380720) has the molecular formula C32H41Cl2SiTi-2 and a molecular weight of 572.54 g/mol.

Molecular Properties

Compound NameCID 174380720
PubChem CID174380720
Molecular FormulaC32H41Cl2SiTi-2
Molecular Weight572.54 g/mol
Exact Mass571.18
IUPAC Name—
SMILESCC(C)Cc1c[cH-]c(-c2ccccc2)c1.CC(C)Cc1c[cH-]c(-c2ccccc2)c1.C[SiH]C.Cl[Ti]Cl
InChIInChI=1S/2C15H17.C2H7Si.2ClH.Ti/c2*1-12(2)10-13-8-9-15(11-13)14-6-4-3-5-7-14;1-3-2;;;/h2*3-9,11-12H,10H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyPCQCMBWNJYKAPT-UHFFFAOYSA-L
XLogP10.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.54
LogP ≤ 510.44
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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Frequently Asked Questions

What is the IUPAC name of CID 174380720?
The IUPAC name of CID 174380720 (CID 174380720) is not available.
What is the SMILES notation for CID 174380720?
The canonical SMILES for CID 174380720 is CC(C)Cc1c[cH-]c(-c2ccccc2)c1.CC(C)Cc1c[cH-]c(-c2ccccc2)c1.C[SiH]C.Cl[Ti]Cl.
What is the InChIKey of CID 174380720?
The InChIKey is PCQCMBWNJYKAPT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H17.C2H7Si.2ClH.Ti/c2*1-12(2)10-13-8-9-15(11-13)14-6-4-3-5-7-14;1-3-2;;;/h2*3-9,11-12H,10H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of CID 174380720?
CID 174380720 has a molecular weight of 572.54 g/mol, XLogP of 10.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174380720 is sourced from PubChem (CID 174380720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).