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;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+))

C124H87Br2Cl2F6N13Ni5-2 — CID 162256652

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;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;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+)) (PubChem CID 162256652) has the molecular formula C124H87Br2Cl2F6N13Ni5-2 and a molecular weight of 2397.32 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;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;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+))
• PubChem CID: 162256652
• Molecular Formula: C124H87Br2Cl2F6N13Ni5-2
• Molecular Weight: 2397.32 g/mol
• Exact Mass: 2389.16
• 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;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].[Ni+2].[Ni+2].[Ni+2].c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12
• InChI: InChI=1S/C20H19N2.2C18H12F3N2.2C16H10BrN2.3C12H8N.2ClH.5Ni/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;2*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;2*1-10H;3*1-8H;2*1H;;;;;/q8*-1;;;2*+1;3*+2/p-2
• InChIKey: TWLWYBNCDHEBKI-UHFFFAOYSA-L
• XLogP: 33.75
• TPSA: 171.20 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2397.32
LogP ≤ 5	33.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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;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;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+)) (CID 162256652) 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;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;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;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].[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;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+))?

The InChIKey is TWLWYBNCDHEBKI-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H19N2.2C18H12F3N2.2C16H10BrN2.3C12H8N.2ClH.5Ni/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;2*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;2*1-10H;3*1-8H;2*1H;;;;;/q8*-1;;;2*+1;3*+2/p-2.

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;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;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+)) has a molecular weight of 2397.32 g/mol, XLogP of 33.75, 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-(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;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);tris(nickel(2+)) is sourced from PubChem (CID 162256652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).