CID 136690961

C27H27P2Si — CID 136690961

IUPAC—
SMILESC[Si](CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27P2Si/c1-30(22-28(24-14-6-2-7-15-24)25-16-8-3-9-17-25)23-29(26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22-23H2,1H3
InChIKeyPIGOBMJGSUNHKS-UHFFFAOYSA-N
MW441.55 g/mol
LogP5.46
Rot. Bonds8

About CID 136690961

CID 136690961 (PubChem CID 136690961) has the molecular formula C27H27P2Si and a molecular weight of 441.55 g/mol.

Molecular Properties

Compound NameCID 136690961
PubChem CID136690961
Molecular FormulaC27H27P2Si
Molecular Weight441.55 g/mol
Exact Mass441.14
IUPAC Name—
SMILESC[Si](CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27P2Si/c1-30(22-28(24-14-6-2-7-15-24)25-16-8-3-9-17-25)23-29(26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22-23H2,1H3
InChIKeyPIGOBMJGSUNHKS-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.55
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 13086817
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CID 11230015
ethyl(diphenyl)phosphane;methyl(diphenyl)phosphane
CID 158097838
ethyl(diphenyl)phosphane;trichlororuthenium
CID 159343437
CID 18612341
CID 18612341
(3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane
CID 159058846

Frequently Asked Questions

What is the IUPAC name of CID 136690961?
The IUPAC name of CID 136690961 (CID 136690961) is not available.
What is the SMILES notation for CID 136690961?
The canonical SMILES for CID 136690961 is C[Si](CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 136690961?
The InChIKey is PIGOBMJGSUNHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27P2Si/c1-30(22-28(24-14-6-2-7-15-24)25-16-8-3-9-17-25)23-29(26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22-23H2,1H3.
What are the key properties of CID 136690961?
CID 136690961 has a molecular weight of 441.55 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136690961 is sourced from PubChem (CID 136690961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).