tris(6-methyl-2-pyridinyl)phosphane

C72H72N12P4 — CID 139167573

IUPACtris(6-methyl-2-pyridinyl)phosphane
SMILESCc1cccc(P(c2cccc(C)n2)c2cccc(C)n2)n1.Cc1cccc(P(c2cccc(C)n2)c2cccc(C)n2)n1.Cc1cccc(P(c2cccc(C)n2)c2cccc(C)n2)n1.Cc1cccc(P(c2cccc(C)n2)c2cccc(C)n2)n1
InChIInChI=1S/4C18H18N3P/c4*1-13-7-4-10-16(19-13)22(17-11-5-8-14(2)20-17)18-12-6-9-15(3)21-18/h4*4-12H,1-3H3
InChIKeyIGQZSUDREYZMTE-UHFFFAOYSA-N
MW1229.35 g/mol
LogP10.22
Rot. Bonds12

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

tris(6-methyl-2-pyridinyl)phosphane (PubChem CID 139167573) has the molecular formula C72H72N12P4 and a molecular weight of 1229.35 g/mol. Its IUPAC name is tris(6-methyl-2-pyridinyl)phosphane.

Molecular Properties

Compound Nametris(6-methyl-2-pyridinyl)phosphane
PubChem CID139167573
Molecular FormulaC72H72N12P4
Molecular Weight1229.35 g/mol
Exact Mass1228.50
IUPAC Nametris(6-methyl-2-pyridinyl)phosphane
SMILESCc1cccc(P(c2cccc(C)n2)c2cccc(C)n2)n1.Cc1cccc(P(c2cccc(C)n2)c2cccc(C)n2)n1.Cc1cccc(P(c2cccc(C)n2)c2cccc(C)n2)n1.Cc1cccc(P(c2cccc(C)n2)c2cccc(C)n2)n1
InChIInChI=1S/4C18H18N3P/c4*1-13-7-4-10-16(19-13)22(17-11-5-8-14(2)20-17)18-12-6-9-15(3)21-18/h4*4-12H,1-3H3
InChIKeyIGQZSUDREYZMTE-UHFFFAOYSA-N
XLogP10.22
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001229.35
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

Sexipyridine
CID 13062899
1,2-Bis[2-(bis(6-methyl-2-pyridyl)methyl)-6-pyridyl]ethane
CID 69412190
Bis(bis[2,6-bis(trifluoromethyl)-3-pyridinyl]-cyclopenta-1,3-dien-1-ylphosphane);iron(2+)
CID 157499774
2-[Bis(6-methyl-2-pyridinyl)phosphoryl]-6-methylpyridine
CID 58106663
(4S,9S,19R,24R,34S,39S,49R,54R)-3,10,18,25,33,40,48,55,61,62,63,64-dodecazanonacyclo[55.3.1.112,16.127,31.142,46.04,9.019,24.034,39.049,54]tetrahexaconta-1(61),2,10,12(64),13,15,17,25,27(63),28,30,32,40,42,44,46(62),47,55,57,59-icosaene
CID 11216691
2-Methyl-6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine
CID 11641219
[Mo(N2)2(2,6-bis(di-tert-butylphosphinomethyl) pyridine)]2(m-N2)
CID 46944237
3,6,14,17-Tetrakis(pyridin-2-ylmethyl)-3,6,14,17,23,24-hexazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene
CID 85931838
Bis[2-(2-pyridyl)-ethyl]phosphinoselenide
CID 129829234
1,2-Bis(1-(pyrid-2-yl)ethylidene)hydrazine
CID 139175264
N,N'-bis(2-acetylpyridine)idene-1,2-diaminoethane
CID 139200368
Tris[(6-methylpyridin-2-yl)methyl]phosphine
CID 163409677

Frequently Asked Questions

What is the IUPAC name of tris(6-methyl-2-pyridinyl)phosphane?
The IUPAC name of tris(6-methyl-2-pyridinyl)phosphane (CID 139167573) is tris(6-methyl-2-pyridinyl)phosphane.
What is the SMILES notation for tris(6-methyl-2-pyridinyl)phosphane?
The canonical SMILES for tris(6-methyl-2-pyridinyl)phosphane is Cc1cccc(P(c2cccc(C)n2)c2cccc(C)n2)n1.Cc1cccc(P(c2cccc(C)n2)c2cccc(C)n2)n1.Cc1cccc(P(c2cccc(C)n2)c2cccc(C)n2)n1.Cc1cccc(P(c2cccc(C)n2)c2cccc(C)n2)n1.
What is the InChIKey of tris(6-methyl-2-pyridinyl)phosphane?
The InChIKey is IGQZSUDREYZMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H18N3P/c4*1-13-7-4-10-16(19-13)22(17-11-5-8-14(2)20-17)18-12-6-9-15(3)21-18/h4*4-12H,1-3H3.
What are the key properties of tris(6-methyl-2-pyridinyl)phosphane?
tris(6-methyl-2-pyridinyl)phosphane has a molecular weight of 1229.35 g/mol, XLogP of 10.22, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(6-methyl-2-pyridinyl)phosphane is sourced from PubChem (CID 139167573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).