CID 15984275

C37H33ClFeNPPd+2 — CID 15984275

IUPAC—
SMILESC/C(=N\c1ccc(C)cc1)[C]1[C-][CH][CH][CH]1.Cl[Pd+].[CH]1[CH][CH][CH][CH]1.[Fe+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C14H13N.C5H5.ClH.Fe.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-7-9-14(10-8-11)15-12(2)13-5-3-4-6-13;1-2-4-5-3-1;;;/h1-15H;3-5,7-10H,1-2H3;1-5H;1H;;/q;-1;;;2*+2/p-1/b;15-12+;;;;
InChIKeyLOYOUHPGLNOHGJ-LPGBOTQVSA-M
MW720.37 g/mol
LogP8.52
Rot. Bonds5

About CID 15984275

CID 15984275 (PubChem CID 15984275) has the molecular formula C37H33ClFeNPPd+2 and a molecular weight of 720.37 g/mol.

Molecular Properties

Compound NameCID 15984275
PubChem CID15984275
Molecular FormulaC37H33ClFeNPPd+2
Molecular Weight720.37 g/mol
Exact Mass719.04
IUPAC Name—
SMILESC/C(=N\c1ccc(C)cc1)[C]1[C-][CH][CH][CH]1.Cl[Pd+].[CH]1[CH][CH][CH][CH]1.[Fe+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C14H13N.C5H5.ClH.Fe.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-7-9-14(10-8-11)15-12(2)13-5-3-4-6-13;1-2-4-5-3-1;;;/h1-15H;3-5,7-10H,1-2H3;1-5H;1H;;/q;-1;;;2*+2/p-1/b;15-12+;;;;
InChIKeyLOYOUHPGLNOHGJ-LPGBOTQVSA-M
XLogP8.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.37
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 10963777
CID 10963777
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platinum;tris(tris(4-methylphenyl)phosphane)
CID 71361072
platinum;triphenylphosphane
CID 159264630
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CID 71332209
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CID 160881940
palladium(2+);triphenylphosphane;diacetate
CID 11554889
copper(1+);tris(triphenylphosphane);acetate
CID 56954258
copper(1+);bis(triphenylphosphane);acetate
CID 175797724
hypochlorous acid;ruthenium;tris(triphenylphosphane)
CID 160643547
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CID 6102135

Frequently Asked Questions

What is the IUPAC name of CID 15984275?
The IUPAC name of CID 15984275 (CID 15984275) is not available.
What is the SMILES notation for CID 15984275?
The canonical SMILES for CID 15984275 is C/C(=N\c1ccc(C)cc1)[C]1[C-][CH][CH][CH]1.Cl[Pd+].[CH]1[CH][CH][CH][CH]1.[Fe+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 15984275?
The InChIKey is LOYOUHPGLNOHGJ-LPGBOTQVSA-M. The full InChI is InChI=1S/C18H15P.C14H13N.C5H5.ClH.Fe.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-7-9-14(10-8-11)15-12(2)13-5-3-4-6-13;1-2-4-5-3-1;;;/h1-15H;3-5,7-10H,1-2H3;1-5H;1H;;/q;-1;;;2*+2/p-1/b;15-12+;;;;.
What are the key properties of CID 15984275?
CID 15984275 has a molecular weight of 720.37 g/mol, XLogP of 8.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15984275 is sourced from PubChem (CID 15984275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).