bis(2-bromo-6-(6-phenyl-2-pyridinyl)pyridine);tris(carbazol-9-ide);chloronickel;bis(2-chloro-6-(6-phenyl-2-pyridinyl)pyridine);2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;tris(nickel(2+))

C118H76Br2Cl4F3N13Ni5-2 — CID 158837757

IUPACbis(2-bromo-6-(6-phenyl-2-pyridinyl)pyridine);tris(carbazol-9-ide);chloronickel;bis(2-chloro-6-(6-phenyl-2-pyridinyl)pyridine);2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;tris(nickel(2+))
SMILESBrc1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.Brc1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.Cc1c[c-]c(-c2cccc(-c3ccc(C(F)(F)F)cn3)n2)cc1.Cl[Ni].Cl[Ni].Clc1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.Clc1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.[Ni+2].[Ni+2].[Ni+2].c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12
InChIInChI=1S/C18H12F3N2.2C16H10BrN2.2C16H10ClN2.3C12H8N.2ClH.5Ni/c1-12-5-7-13(8-6-12)15-3-2-4-17(23-15)16-10-9-14(11-22-16)18(19,20)21;4*17-16-11-5-10-15(19-16)14-9-4-8-13(18-14)12-6-2-1-3-7-12;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;;/h2-7,9-11H,1H3;4*1-6,8-11H;3*1-8H;2*1H;;;;;/q8*-1;;;2*+1;3*+2/p-2
InChIKeyNSZXHDRKOIMJQP-UHFFFAOYSA-L
MW2328.08 g/mol
LogP32.43
Rot. Bonds10

About bis(2-bromo-6-(6-phenyl-2-pyridinyl)pyridine);tris(carbazol-9-ide);chloronickel;bis(2-chloro-6-(6-phenyl-2-pyridinyl)pyridine);2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;tris(nickel(2+))

bis(2-bromo-6-(6-phenyl-2-pyridinyl)pyridine);tris(carbazol-9-ide);chloronickel;bis(2-chloro-6-(6-phenyl-2-pyridinyl)pyridine);2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;tris(nickel(2+)) (PubChem CID 158837757) has the molecular formula C118H76Br2Cl4F3N13Ni5-2 and a molecular weight of 2328.08 g/mol. Its IUPAC name is bis(2-bromo-6-(6-phenyl-2-pyridinyl)pyridine);tris(carbazol-9-ide);chloronickel;bis(2-chloro-6-(6-phenyl-2-pyridinyl)pyridine);2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;tris(nickel(2+)).

Molecular Properties

Compound Namebis(2-bromo-6-(6-phenyl-2-pyridinyl)pyridine);tris(carbazol-9-ide);chloronickel;bis(2-chloro-6-(6-phenyl-2-pyridinyl)pyridine);2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;tris(nickel(2+))
PubChem CID158837757
Molecular FormulaC118H76Br2Cl4F3N13Ni5-2
Molecular Weight2328.08 g/mol
Exact Mass2319.02
IUPAC Namebis(2-bromo-6-(6-phenyl-2-pyridinyl)pyridine);tris(carbazol-9-ide);chloronickel;bis(2-chloro-6-(6-phenyl-2-pyridinyl)pyridine);2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;tris(nickel(2+))
SMILESBrc1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.Brc1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.Cc1c[c-]c(-c2cccc(-c3ccc(C(F)(F)F)cn3)n2)cc1.Cl[Ni].Cl[Ni].Clc1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.Clc1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.[Ni+2].[Ni+2].[Ni+2].c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12
InChIInChI=1S/C18H12F3N2.2C16H10BrN2.2C16H10ClN2.3C12H8N.2ClH.5Ni/c1-12-5-7-13(8-6-12)15-3-2-4-17(23-15)16-10-9-14(11-22-16)18(19,20)21;4*17-16-11-5-10-15(19-16)14-9-4-8-13(18-14)12-6-2-1-3-7-12;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;;/h2-7,9-11H,1H3;4*1-6,8-11H;3*1-8H;2*1H;;;;;/q8*-1;;;2*+1;3*+2/p-2
InChIKeyNSZXHDRKOIMJQP-UHFFFAOYSA-L
XLogP32.43
TPSA171.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002328.08
LogP ≤ 532.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-bromo-6-(6-phenyl-2-pyridinyl)pyridine);tris(carbazol-9-ide);chloronickel;bis(2-chloro-6-(6-phenyl-2-pyridinyl)pyridine);2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;tris(nickel(2+))?
The IUPAC name of bis(2-bromo-6-(6-phenyl-2-pyridinyl)pyridine);tris(carbazol-9-ide);chloronickel;bis(2-chloro-6-(6-phenyl-2-pyridinyl)pyridine);2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;tris(nickel(2+)) (CID 158837757) is bis(2-bromo-6-(6-phenyl-2-pyridinyl)pyridine);tris(carbazol-9-ide);chloronickel;bis(2-chloro-6-(6-phenyl-2-pyridinyl)pyridine);2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;tris(nickel(2+)).
What is the SMILES notation for bis(2-bromo-6-(6-phenyl-2-pyridinyl)pyridine);tris(carbazol-9-ide);chloronickel;bis(2-chloro-6-(6-phenyl-2-pyridinyl)pyridine);2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;tris(nickel(2+))?
The canonical SMILES for bis(2-bromo-6-(6-phenyl-2-pyridinyl)pyridine);tris(carbazol-9-ide);chloronickel;bis(2-chloro-6-(6-phenyl-2-pyridinyl)pyridine);2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;tris(nickel(2+)) is Brc1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.Brc1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.Cc1c[c-]c(-c2cccc(-c3ccc(C(F)(F)F)cn3)n2)cc1.Cl[Ni].Cl[Ni].Clc1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.Clc1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.[Ni+2].[Ni+2].[Ni+2].c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.
What is the InChIKey of bis(2-bromo-6-(6-phenyl-2-pyridinyl)pyridine);tris(carbazol-9-ide);chloronickel;bis(2-chloro-6-(6-phenyl-2-pyridinyl)pyridine);2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;tris(nickel(2+))?
The InChIKey is NSZXHDRKOIMJQP-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H12F3N2.2C16H10BrN2.2C16H10ClN2.3C12H8N.2ClH.5Ni/c1-12-5-7-13(8-6-12)15-3-2-4-17(23-15)16-10-9-14(11-22-16)18(19,20)21;4*17-16-11-5-10-15(19-16)14-9-4-8-13(18-14)12-6-2-1-3-7-12;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;;/h2-7,9-11H,1H3;4*1-6,8-11H;3*1-8H;2*1H;;;;;/q8*-1;;;2*+1;3*+2/p-2.
What are the key properties of bis(2-bromo-6-(6-phenyl-2-pyridinyl)pyridine);tris(carbazol-9-ide);chloronickel;bis(2-chloro-6-(6-phenyl-2-pyridinyl)pyridine);2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;tris(nickel(2+))?
bis(2-bromo-6-(6-phenyl-2-pyridinyl)pyridine);tris(carbazol-9-ide);chloronickel;bis(2-chloro-6-(6-phenyl-2-pyridinyl)pyridine);2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;tris(nickel(2+)) has a molecular weight of 2328.08 g/mol, XLogP of 32.43, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-bromo-6-(6-phenyl-2-pyridinyl)pyridine);tris(carbazol-9-ide);chloronickel;bis(2-chloro-6-(6-phenyl-2-pyridinyl)pyridine);2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;tris(nickel(2+)) is sourced from PubChem (CID 158837757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).