bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(carbazol-9-ide);chloronickel;2-chloro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+))

C140H97Br2Cl4F6N15Ni6-3 — CID 157384706

About bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(carbazol-9-ide);chloronickel;2-chloro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+))

bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(carbazol-9-ide);chloronickel;2-chloro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+)) (PubChem CID 157384706) has the molecular formula C140H97Br2Cl4F6N15Ni6-3 and a molecular weight of 2757.19 g/mol. Its IUPAC name is bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(carbazol-9-ide);chloronickel;2-chloro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+)).

Molecular Properties

• Compound Name: bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(carbazol-9-ide);chloronickel;2-chloro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+))
• PubChem CID: 157384706
• Molecular Formula: C140H97Br2Cl4F6N15Ni6-3
• Molecular Weight: 2757.19 g/mol
• Exact Mass: 2747.12
• IUPAC Name: bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(carbazol-9-ide);chloronickel;2-chloro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+))
• SMILES: Brc1cccc(-c2[c-]c(-c3ccccn3)ccc2)n1.Brc1cccc(-c2[c-]c(-c3ccccn3)ccc2)n1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Cc1ccc(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)ccc2)nc1.Cc1ccc(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)ccc2)nc1.Cl[Ni].Cl[Ni].Cl[Ni].Clc1cccc(-c2[c-]c(-c3ccccn3)ccc2)n1.[Ni+2].[Ni+2].[Ni+2].c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12
• InChI: InChI=1S/C20H19N2.2C18H12F3N2.2C16H10BrN2.C16H10ClN2.3C12H8N.3ClH.6Ni/c1-20(2,3)17-13-15(18-8-4-6-10-21-18)12-16(14-17)19-9-5-7-11-22-19;2*1-12-5-7-16(22-10-12)13-3-2-4-14(9-13)17-8-6-15(11-23-17)18(19,20)21;3*17-16-9-4-8-15(19-16)13-6-3-5-12(11-13)14-7-1-2-10-18-14;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;;;;/h4-11,13-14H,1-3H3;2*2-8,10-11H,1H3;3*1-10H;3*1-8H;3*1H;;;;;;/q9*-1;;;;3*+1;3*+2/p-3
• InChIKey: UGENANQGLOKPSG-UHFFFAOYSA-K
• XLogP: 38.70
• TPSA: 196.98 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2757.19
LogP ≤ 5	38.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(carbazol-9-ide);chloronickel;2-chloro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+))?

The IUPAC name of bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(carbazol-9-ide);chloronickel;2-chloro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+)) (CID 157384706) is bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(carbazol-9-ide);chloronickel;2-chloro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+)).

What is the SMILES notation for bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(carbazol-9-ide);chloronickel;2-chloro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+))?

The canonical SMILES for bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(carbazol-9-ide);chloronickel;2-chloro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+)) is Brc1cccc(-c2[c-]c(-c3ccccn3)ccc2)n1.Brc1cccc(-c2[c-]c(-c3ccccn3)ccc2)n1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Cc1ccc(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)ccc2)nc1.Cc1ccc(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)ccc2)nc1.Cl[Ni].Cl[Ni].Cl[Ni].Clc1cccc(-c2[c-]c(-c3ccccn3)ccc2)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-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(carbazol-9-ide);chloronickel;2-chloro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+))?

The InChIKey is UGENANQGLOKPSG-UHFFFAOYSA-K. The full InChI is InChI=1S/C20H19N2.2C18H12F3N2.2C16H10BrN2.C16H10ClN2.3C12H8N.3ClH.6Ni/c1-20(2,3)17-13-15(18-8-4-6-10-21-18)12-16(14-17)19-9-5-7-11-22-19;2*1-12-5-7-16(22-10-12)13-3-2-4-14(9-13)17-8-6-15(11-23-17)18(19,20)21;3*17-16-9-4-8-15(19-16)13-6-3-5-12(11-13)14-7-1-2-10-18-14;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;;;;/h4-11,13-14H,1-3H3;2*2-8,10-11H,1H3;3*1-10H;3*1-8H;3*1H;;;;;;/q9*-1;;;;3*+1;3*+2/p-3.

What are the key properties of bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(carbazol-9-ide);chloronickel;2-chloro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+))?

bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(carbazol-9-ide);chloronickel;2-chloro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+)) has a molecular weight of 2757.19 g/mol, XLogP of 38.70, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tris(carbazol-9-ide);chloronickel;2-chloro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+)) is sourced from PubChem (CID 157384706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).