CID 173031425

C30H24F2SiTi — CID 173031425

IUPAC—
SMILES[C-]1=CC=CC1.[F-].[F-].[Ti+4].c1ccc([Si]c2ccccc2)cc1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C12H10Si.C5H5.2FH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1;;;/h1-9H;1-10H;1-3H,4H2;2*1H;/q-1;;-1;;;+4/p-2
InChIKeyCBNWPWXYPZHAMR-UHFFFAOYSA-L
MW498.47 g/mol
LogP0.36
Rot. Bonds2

About CID 173031425

CID 173031425 (PubChem CID 173031425) has the molecular formula C30H24F2SiTi and a molecular weight of 498.47 g/mol.

Molecular Properties

Compound NameCID 173031425
PubChem CID173031425
Molecular FormulaC30H24F2SiTi
Molecular Weight498.47 g/mol
Exact Mass498.11
IUPAC Name—
SMILES[C-]1=CC=CC1.[F-].[F-].[Ti+4].c1ccc([Si]c2ccccc2)cc1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C12H10Si.C5H5.2FH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1;;;/h1-9H;1-10H;1-3H,4H2;2*1H;/q-1;;-1;;;+4/p-2
InChIKeyCBNWPWXYPZHAMR-UHFFFAOYSA-L
XLogP0.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.47
LogP ≤ 50.36
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

cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride
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cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+)
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cyclopenta-1,3-diene;9H-fluoren-9-ide;methylidenezirconium(2+);dichloride
CID 87327978
cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+)
CID 173221097
aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride
CID 22461419
cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride
CID 86749727
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;chloride
CID 23363370
cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride
CID 87337244
bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride
CID 18407437
cyclopenta-1,3-diene;di(propan-2-ylidene)hafnium;9H-fluoren-9-ide
CID 173322687
cyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide
CID 173276833
carbanide;cyclohexylidenetitanium;cyclopenta-1,3-diene;9H-fluoren-9-ide
CID 173290394

Frequently Asked Questions

What is the IUPAC name of CID 173031425?
The IUPAC name of CID 173031425 (CID 173031425) is not available.
What is the SMILES notation for CID 173031425?
The canonical SMILES for CID 173031425 is [C-]1=CC=CC1.[F-].[F-].[Ti+4].c1ccc([Si]c2ccccc2)cc1.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of CID 173031425?
The InChIKey is CBNWPWXYPZHAMR-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C12H10Si.C5H5.2FH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1;;;/h1-9H;1-10H;1-3H,4H2;2*1H;/q-1;;-1;;;+4/p-2.
What are the key properties of CID 173031425?
CID 173031425 has a molecular weight of 498.47 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173031425 is sourced from PubChem (CID 173031425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).