CID 175460452

C23H31BP — CID 175460452

IUPAC—
SMILESCC(C)(C)P(C1C(c2ccccc2)C1c1ccccc1)C(C)(C)C.[B]
InChIInChI=1S/C23H31P.B/c1-22(2,3)24(23(4,5)6)21-19(17-13-9-7-10-14-17)20(21)18-15-11-8-12-16-18;/h7-16,19-21H,1-6H3;
InChIKeyDTHZPRCNJFCDTM-UHFFFAOYSA-N
MW349.29 g/mol
LogP6.63
Rot. Bonds3

About CID 175460452

CID 175460452 (PubChem CID 175460452) has the molecular formula C23H31BP and a molecular weight of 349.29 g/mol.

Molecular Properties

Compound NameCID 175460452
PubChem CID175460452
Molecular FormulaC23H31BP
Molecular Weight349.29 g/mol
Exact Mass349.23
IUPAC Name—
SMILESCC(C)(C)P(C1C(c2ccccc2)C1c1ccccc1)C(C)(C)C.[B]
InChIInChI=1S/C23H31P.B/c1-22(2,3)24(23(4,5)6)21-19(17-13-9-7-10-14-17)20(21)18-15-11-8-12-16-18;/h7-16,19-21H,1-6H3;
InChIKeyDTHZPRCNJFCDTM-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.29
LogP ≤ 56.63
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 175460452?
The IUPAC name of CID 175460452 (CID 175460452) is not available.
What is the SMILES notation for CID 175460452?
The canonical SMILES for CID 175460452 is CC(C)(C)P(C1C(c2ccccc2)C1c1ccccc1)C(C)(C)C.[B].
What is the InChIKey of CID 175460452?
The InChIKey is DTHZPRCNJFCDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31P.B/c1-22(2,3)24(23(4,5)6)21-19(17-13-9-7-10-14-17)20(21)18-15-11-8-12-16-18;/h7-16,19-21H,1-6H3;.
What are the key properties of CID 175460452?
CID 175460452 has a molecular weight of 349.29 g/mol, XLogP of 6.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175460452 is sourced from PubChem (CID 175460452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).