CID 174479295

C18H17BNP+ — CID 174479295

IUPAC—
SMILESN[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[B]
InChIInChI=1S/C18H17NP.B/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H,19H2;/q+1;
InChIKeyICWVVZNZSUPFKQ-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.47
Rot. Bonds3

About CID 174479295

CID 174479295 (PubChem CID 174479295) has the molecular formula C18H17BNP+ and a molecular weight of 289.13 g/mol.

Molecular Properties

Compound NameCID 174479295
PubChem CID174479295
Molecular FormulaC18H17BNP+
Molecular Weight289.13 g/mol
Exact Mass289.12
IUPAC Name—
SMILESN[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[B]
InChIInChI=1S/C18H17NP.B/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H,19H2;/q+1;
InChIKeyICWVVZNZSUPFKQ-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 70150427
ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237
1-aminoprop-2-enyl(triphenyl)phosphanium chloride
CID 88750201
tetraphenylphosphanium;trifluorophosphane
CID 175419552
platinum;tetrakis(triphenyl(phosphanyl)phosphanium)
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palladium;triphenyl(sulfido)phosphanium
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[amino(phenyl)methyl]phosphonous acid
CID 11975873

Frequently Asked Questions

What is the IUPAC name of CID 174479295?
The IUPAC name of CID 174479295 (CID 174479295) is not available.
What is the SMILES notation for CID 174479295?
The canonical SMILES for CID 174479295 is N[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[B].
What is the InChIKey of CID 174479295?
The InChIKey is ICWVVZNZSUPFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NP.B/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H,19H2;/q+1;.
What are the key properties of CID 174479295?
CID 174479295 has a molecular weight of 289.13 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174479295 is sourced from PubChem (CID 174479295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).