di(propan-2-yl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;prop-1-ene

C24H36NP — CID 167454576

IUPACdi(propan-2-yl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;prop-1-ene
SMILESC=CC.Cc1cc(C)c(-c2cccc(CP(C(C)C)C(C)C)n2)c(C)c1
InChIInChI=1S/C21H30NP.C3H6/c1-14(2)23(15(3)4)13-19-9-8-10-20(22-19)21-17(6)11-16(5)12-18(21)7;1-3-2/h8-12,14-15H,13H2,1-7H3;3H,1H2,2H3
InChIKeyHEZFCFVRASJRNG-UHFFFAOYSA-N
MW369.53 g/mol
LogP7.66
Rot. Bonds5

About di(propan-2-yl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;prop-1-ene

di(propan-2-yl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;prop-1-ene (PubChem CID 167454576) has the molecular formula C24H36NP and a molecular weight of 369.53 g/mol. Its IUPAC name is di(propan-2-yl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;prop-1-ene.

Molecular Properties

Compound Namedi(propan-2-yl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;prop-1-ene
PubChem CID167454576
Molecular FormulaC24H36NP
Molecular Weight369.53 g/mol
Exact Mass369.26
IUPAC Namedi(propan-2-yl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;prop-1-ene
SMILESC=CC.Cc1cc(C)c(-c2cccc(CP(C(C)C)C(C)C)n2)c(C)c1
InChIInChI=1S/C21H30NP.C3H6/c1-14(2)23(15(3)4)13-19-9-8-10-20(22-19)21-17(6)11-16(5)12-18(21)7;1-3-2/h8-12,14-15H,13H2,1-7H3;3H,1H2,2H3
InChIKeyHEZFCFVRASJRNG-UHFFFAOYSA-N
XLogP7.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2,4,6-trimethylphenyl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;dibromonickel
CID 11216183
N-methyl-6-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 115503483
N-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 155088007
[2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium
CID 142140371
(4E,6Z)-2-methyl-N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-5-propan-2-ylocta-4,6-dien-4-amine
CID 142140472
3-(2,4,6-trimethylphenyl)pyridazine
CID 67379258
2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine
CID 71374375
1-N-[(6-bromo-2-pyridinyl)methyl]-1-N,4-N-dipropyl-4-N-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]hexane-1,4-diamine
CID 87703323
N-(cyclohexylmethyl)-6-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 171548736
2-[1-ethoxy-3-oxo-2-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]hexyl]propanedioic acid
CID 69119379
2-[(2,6-dimethylphenyl)methyl]-1-propan-2-yl-4-(2,4,6-trimethylphenyl)benzimidazole
CID 167538655
2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-2-ol
CID 116902051

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;prop-1-ene?
The IUPAC name of di(propan-2-yl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;prop-1-ene (CID 167454576) is di(propan-2-yl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;prop-1-ene.
What is the SMILES notation for di(propan-2-yl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;prop-1-ene?
The canonical SMILES for di(propan-2-yl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;prop-1-ene is C=CC.Cc1cc(C)c(-c2cccc(CP(C(C)C)C(C)C)n2)c(C)c1.
What is the InChIKey of di(propan-2-yl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;prop-1-ene?
The InChIKey is HEZFCFVRASJRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30NP.C3H6/c1-14(2)23(15(3)4)13-19-9-8-10-20(22-19)21-17(6)11-16(5)12-18(21)7;1-3-2/h8-12,14-15H,13H2,1-7H3;3H,1H2,2H3.
What are the key properties of di(propan-2-yl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;prop-1-ene?
di(propan-2-yl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;prop-1-ene has a molecular weight of 369.53 g/mol, XLogP of 7.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;prop-1-ene is sourced from PubChem (CID 167454576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).