CID 172703575

C26H28PtSi-3 — CID 172703575

IUPAC—
SMILES[CH2-]C1C=CC=C1.[CH3-].[CH3-].[Pt].c1ccc([Si](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15Si.C6H7.2CH3.Pt/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-2-3-5-6;;;/h1-15H;2-6H,1H2;2*1H3;/q;3*-1;
InChIKeyJZQSPDCRTRXBKK-UHFFFAOYSA-N
MW563.67 g/mol
LogP4.66
Rot. Bonds3

About CID 172703575

CID 172703575 (PubChem CID 172703575) has the molecular formula C26H28PtSi-3 and a molecular weight of 563.67 g/mol.

Molecular Properties

Compound NameCID 172703575
PubChem CID172703575
Molecular FormulaC26H28PtSi-3
Molecular Weight563.67 g/mol
Exact Mass563.16
IUPAC Name—
SMILES[CH2-]C1C=CC=C1.[CH3-].[CH3-].[Pt].c1ccc([Si](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15Si.C6H7.2CH3.Pt/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-2-3-5-6;;;/h1-15H;2-6H,1H2;2*1H3;/q;3*-1;
InChIKeyJZQSPDCRTRXBKK-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.67
LogP ≤ 54.66
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Triphenylsilicon
CID 6327682
CID 22402180
CID 22402180
CID 175126111
CID 175126111
CID 174815394
CID 174815394
CID 162102234
CID 162102234
CID 22023634
CID 22023634
6-diphenylsilylidenecyclohexa-2,4-dien-1-amine
CID 161182347
CID 45050109
CID 45050109
(1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene
CID 98158916
cyclopenta-2,4-dien-1-ylbenzene
CID 10917557
CID 21439516
CID 21439516
oxo(diphenyl)silane
CID 3691228

Frequently Asked Questions

What is the IUPAC name of CID 172703575?
The IUPAC name of CID 172703575 (CID 172703575) is not available.
What is the SMILES notation for CID 172703575?
The canonical SMILES for CID 172703575 is [CH2-]C1C=CC=C1.[CH3-].[CH3-].[Pt].c1ccc([Si](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 172703575?
The InChIKey is JZQSPDCRTRXBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Si.C6H7.2CH3.Pt/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-2-3-5-6;;;/h1-15H;2-6H,1H2;2*1H3;/q;3*-1;.
What are the key properties of CID 172703575?
CID 172703575 has a molecular weight of 563.67 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172703575 is sourced from PubChem (CID 172703575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).