10-(4-butyltriazol-1-yl)decyl-triphenylphosphanium

C34H45N3P+ — CID 71498714

IUPAC10-(4-butyltriazol-1-yl)decyl-triphenylphosphanium
SMILESCCCCc1cn(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C34H45N3P/c1-2-3-21-31-30-37(36-35-31)28-19-8-6-4-5-7-9-20-29-38(32-22-13-10-14-23-32,33-24-15-11-16-25-33)34-26-17-12-18-27-34/h10-18,22-27,30H,2-9,19-21,28-29H2,1H3/q+1
InChIKeyLZSHWWILQRPTQM-UHFFFAOYSA-N
MW526.73 g/mol
LogP7.74
Rot. Bonds17

About 10-(4-butyltriazol-1-yl)decyl-triphenylphosphanium

10-(4-butyltriazol-1-yl)decyl-triphenylphosphanium (PubChem CID 71498714) has the molecular formula C34H45N3P+ and a molecular weight of 526.73 g/mol. Its IUPAC name is 10-(4-butyltriazol-1-yl)decyl-triphenylphosphanium.

Molecular Properties

Compound Name10-(4-butyltriazol-1-yl)decyl-triphenylphosphanium
PubChem CID71498714
Molecular FormulaC34H45N3P+
Molecular Weight526.73 g/mol
Exact Mass526.33
IUPAC Name10-(4-butyltriazol-1-yl)decyl-triphenylphosphanium
SMILESCCCCc1cn(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C34H45N3P/c1-2-3-21-31-30-37(36-35-31)28-19-8-6-4-5-7-9-20-29-38(32-22-13-10-14-23-32,33-24-15-11-16-25-33)34-26-17-12-18-27-34/h10-18,22-27,30H,2-9,19-21,28-29H2,1H3/q+1
InChIKeyLZSHWWILQRPTQM-UHFFFAOYSA-N
XLogP7.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.73
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-dioctyltriazole
CID 22628762
4-heptyl-1-octyltriazole
CID 146568784
1-dodecyl-4-(2-phenylethyl)triazole
CID 56666794
1-heptyl-4-(3-methylbutyl)triazole
CID 68683945
4-(1-heptyltriazol-4-yl)butan-1-amine
CID 104539279
4-(1-hexyltriazol-4-yl)butan-1-amine
CID 104539137
4-(1-nonyltriazol-4-yl)butan-1-amine
CID 104539136
2-[2-(1-octyltriazol-4-yl)ethyl]propane-1,3-diol
CID 175884654
hexyl(triphenyl)phosphanium
CID 2724570
3-(1-nonyltriazol-4-yl)propanoic acid
CID 107460574
4-butyl-1-phenyltriazole
CID 25191665
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934

Frequently Asked Questions

What is the IUPAC name of 10-(4-butyltriazol-1-yl)decyl-triphenylphosphanium?
The IUPAC name of 10-(4-butyltriazol-1-yl)decyl-triphenylphosphanium (CID 71498714) is 10-(4-butyltriazol-1-yl)decyl-triphenylphosphanium.
What is the SMILES notation for 10-(4-butyltriazol-1-yl)decyl-triphenylphosphanium?
The canonical SMILES for 10-(4-butyltriazol-1-yl)decyl-triphenylphosphanium is CCCCc1cn(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)nn1.
What is the InChIKey of 10-(4-butyltriazol-1-yl)decyl-triphenylphosphanium?
The InChIKey is LZSHWWILQRPTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N3P/c1-2-3-21-31-30-37(36-35-31)28-19-8-6-4-5-7-9-20-29-38(32-22-13-10-14-23-32,33-24-15-11-16-25-33)34-26-17-12-18-27-34/h10-18,22-27,30H,2-9,19-21,28-29H2,1H3/q+1.
What are the key properties of 10-(4-butyltriazol-1-yl)decyl-triphenylphosphanium?
10-(4-butyltriazol-1-yl)decyl-triphenylphosphanium has a molecular weight of 526.73 g/mol, XLogP of 7.74, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-butyltriazol-1-yl)decyl-triphenylphosphanium is sourced from PubChem (CID 71498714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).