tris(6-butyl-2-pyridinyl)phosphane

C27H36N3P — CID 54182006

IUPACtris(6-butyl-2-pyridinyl)phosphane
SMILESCCCCc1cccc(P(c2cccc(CCCC)n2)c2cccc(CCCC)n2)n1
InChIInChI=1S/C27H36N3P/c1-4-7-13-22-16-10-19-25(28-22)31(26-20-11-17-23(29-26)14-8-5-2)27-21-12-18-24(30-27)15-9-6-3/h10-12,16-21H,4-9,13-15H2,1-3H3
InChIKeyPCLMVDPVAZAENL-UHFFFAOYSA-N
MW433.58 g/mol
LogP5.66
Rot. Bonds12

About tris(6-butyl-2-pyridinyl)phosphane

tris(6-butyl-2-pyridinyl)phosphane (PubChem CID 54182006) has the molecular formula C27H36N3P and a molecular weight of 433.58 g/mol. Its IUPAC name is tris(6-butyl-2-pyridinyl)phosphane.

Molecular Properties

Compound Nametris(6-butyl-2-pyridinyl)phosphane
PubChem CID54182006
Molecular FormulaC27H36N3P
Molecular Weight433.58 g/mol
Exact Mass433.26
IUPAC Nametris(6-butyl-2-pyridinyl)phosphane
SMILESCCCCc1cccc(P(c2cccc(CCCC)n2)c2cccc(CCCC)n2)n1
InChIInChI=1S/C27H36N3P/c1-4-7-13-22-16-10-19-25(28-22)31(26-20-11-17-23(29-26)14-8-5-2)27-21-12-18-24(30-27)15-9-6-3/h10-12,16-21H,4-9,13-15H2,1-3H3
InChIKeyPCLMVDPVAZAENL-UHFFFAOYSA-N
XLogP5.66
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(6-butyl-2-pyridinyl)phosphane?
The IUPAC name of tris(6-butyl-2-pyridinyl)phosphane (CID 54182006) is tris(6-butyl-2-pyridinyl)phosphane.
What is the SMILES notation for tris(6-butyl-2-pyridinyl)phosphane?
The canonical SMILES for tris(6-butyl-2-pyridinyl)phosphane is CCCCc1cccc(P(c2cccc(CCCC)n2)c2cccc(CCCC)n2)n1.
What is the InChIKey of tris(6-butyl-2-pyridinyl)phosphane?
The InChIKey is PCLMVDPVAZAENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N3P/c1-4-7-13-22-16-10-19-25(28-22)31(26-20-11-17-23(29-26)14-8-5-2)27-21-12-18-24(30-27)15-9-6-3/h10-12,16-21H,4-9,13-15H2,1-3H3.
What are the key properties of tris(6-butyl-2-pyridinyl)phosphane?
tris(6-butyl-2-pyridinyl)phosphane has a molecular weight of 433.58 g/mol, XLogP of 5.66, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(6-butyl-2-pyridinyl)phosphane is sourced from PubChem (CID 54182006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).