CID 174565668

C20H20B3PRh — CID 174565668

IUPAC—
SMILES[B][B][B]CC.[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C2H5B3.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3;/h1-15H;2H2,1H3;
InChIKeyYNHFWSSTWFQSHQ-UHFFFAOYSA-N
MW426.70 g/mol
LogP3.27
Rot. Bonds5

About CID 174565668

CID 174565668 (PubChem CID 174565668) has the molecular formula C20H20B3PRh and a molecular weight of 426.70 g/mol.

Molecular Properties

Compound NameCID 174565668
PubChem CID174565668
Molecular FormulaC20H20B3PRh
Molecular Weight426.70 g/mol
Exact Mass427.06
IUPAC Name—
SMILES[B][B][B]CC.[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C2H5B3.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3;/h1-15H;2H2,1H3;
InChIKeyYNHFWSSTWFQSHQ-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.70
LogP ≤ 53.27
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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Frequently Asked Questions

What is the IUPAC name of CID 174565668?
The IUPAC name of CID 174565668 (CID 174565668) is not available.
What is the SMILES notation for CID 174565668?
The canonical SMILES for CID 174565668 is [B][B][B]CC.[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 174565668?
The InChIKey is YNHFWSSTWFQSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C2H5B3.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3;/h1-15H;2H2,1H3;.
What are the key properties of CID 174565668?
CID 174565668 has a molecular weight of 426.70 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174565668 is sourced from PubChem (CID 174565668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).