CID 59327691

C20H29BN2P+ — CID 59327691

IUPAC—
SMILES[B][PH+](c1ccc(CCN(C)C)cc1)c1ccc(CCN(C)C)cc1
InChIInChI=1S/C20H29BN2P/c1-22(2)15-13-17-5-9-19(10-6-17)24(21)20-11-7-18(8-12-20)14-16-23(3)4/h5-12,24H,13-16H2,1-4H3/q+1
InChIKeyFYXUVGJRMQHKQA-UHFFFAOYSA-N
MW339.25 g/mol
LogP2.14
Rot. Bonds8

About CID 59327691

CID 59327691 (PubChem CID 59327691) has the molecular formula C20H29BN2P+ and a molecular weight of 339.25 g/mol.

Molecular Properties

Compound NameCID 59327691
PubChem CID59327691
Molecular FormulaC20H29BN2P+
Molecular Weight339.25 g/mol
Exact Mass339.22
IUPAC Name—
SMILES[B][PH+](c1ccc(CCN(C)C)cc1)c1ccc(CCN(C)C)cc1
InChIInChI=1S/C20H29BN2P/c1-22(2)15-13-17-5-9-19(10-6-17)24(21)20-11-7-18(8-12-20)14-16-23(3)4/h5-12,24H,13-16H2,1-4H3/q+1
InChIKeyFYXUVGJRMQHKQA-UHFFFAOYSA-N
XLogP2.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 59327691?
The IUPAC name of CID 59327691 (CID 59327691) is not available.
What is the SMILES notation for CID 59327691?
The canonical SMILES for CID 59327691 is [B][PH+](c1ccc(CCN(C)C)cc1)c1ccc(CCN(C)C)cc1.
What is the InChIKey of CID 59327691?
The InChIKey is FYXUVGJRMQHKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BN2P/c1-22(2)15-13-17-5-9-19(10-6-17)24(21)20-11-7-18(8-12-20)14-16-23(3)4/h5-12,24H,13-16H2,1-4H3/q+1.
What are the key properties of CID 59327691?
CID 59327691 has a molecular weight of 339.25 g/mol, XLogP of 2.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59327691 is sourced from PubChem (CID 59327691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).