CID 153499114

C35H26NNiSi — CID 153499114

IUPAC—
SMILES[Ni+2].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.c1ccc([Si](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15Si.C17H11N.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;/h1-15H;1-8,10,12-13H;/q;-2;+2
InChIKeyBSFVSJRDFUPMIT-UHFFFAOYSA-N
MW547.38 g/mol
LogP6.22
Rot. Bonds5

About CID 153499114

CID 153499114 (PubChem CID 153499114) has the molecular formula C35H26NNiSi and a molecular weight of 547.38 g/mol.

Molecular Properties

Compound NameCID 153499114
PubChem CID153499114
Molecular FormulaC35H26NNiSi
Molecular Weight547.38 g/mol
Exact Mass546.12
IUPAC Name—
SMILES[Ni+2].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.c1ccc([Si](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15Si.C17H11N.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;/h1-15H;1-8,10,12-13H;/q;-2;+2
InChIKeyBSFVSJRDFUPMIT-UHFFFAOYSA-N
XLogP6.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.38
LogP ≤ 56.22
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

chloronickel;2,6-di(phenyl)pyridine
CID 153499161
bromonickel;2-phenyl-6-pyridin-2-ylpyridine
CID 153499013
nickel;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol
CID 153499066
6-diphenylphosphanylhexyl(diphenyl)phosphane;bis(2,6-di(phenyl)pyridine);bis(gold(3+))
CID 25131993
2-phenyl-6-[phenyl-(6-phenyl-2-pyridinyl)methyl]pyridine;platinum(2+)
CID 59434494
chlororuthenium(2+);2,6-dipyridin-2-ylpyridine;2-phenylpyridine;hexafluorophosphate
CID 50901693
iridium;tris(2-phenylpyridine)
CID 23386734
chloroplatinum(1+);2-phenylpyridine;2-phenylpyridine
CID 54698144
carbanide;2-phenylquinoline;platinum
CID 21044184
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
CID 162174246
CID 162174246
iridium;2-methyl-3-phenyl-6-phenylpyridine
CID 58435059

Frequently Asked Questions

What is the IUPAC name of CID 153499114?
The IUPAC name of CID 153499114 (CID 153499114) is not available.
What is the SMILES notation for CID 153499114?
The canonical SMILES for CID 153499114 is [Ni+2].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.c1ccc([Si](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 153499114?
The InChIKey is BSFVSJRDFUPMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Si.C17H11N.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;/h1-15H;1-8,10,12-13H;/q;-2;+2.
What are the key properties of CID 153499114?
CID 153499114 has a molecular weight of 547.38 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153499114 is sourced from PubChem (CID 153499114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).