bis(4-tert-butyl-2,6-di(phenyl)pyridine);4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+))

C139H106Cl2F9N8Ni5-4 — CID 157352374

About bis(4-tert-butyl-2,6-di(phenyl)pyridine);4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+))

bis(4-tert-butyl-2,6-di(phenyl)pyridine);4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+)) (PubChem CID 157352374) has the molecular formula C139H106Cl2F9N8Ni5-4 and a molecular weight of 2423.79 g/mol. Its IUPAC name is bis(4-tert-butyl-2,6-di(phenyl)pyridine);4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+)).

Molecular Properties

• Compound Name: bis(4-tert-butyl-2,6-di(phenyl)pyridine);4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+))
• PubChem CID: 157352374
• Molecular Formula: C139H106Cl2F9N8Ni5-4
• Molecular Weight: 2423.79 g/mol
• Exact Mass: 2417.46
• IUPAC Name: bis(4-tert-butyl-2,6-di(phenyl)pyridine);4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+))
• SMILES: CC(C)(C)c1cc(-c2[c-]cccc2)nc(-c2[c-]cccc2)c1.CC(C)(C)c1cc(-c2[c-]cccc2)nc(-c2[c-]cccc2)c1.Cc1c[c-]c(-c2cc(C(C)(C)C)cc(-c3[c-]cc(C(F)(F)F)cc3)n2)cc1.Cc1c[c-]c(-c2cccc(-c3[c-]cc(C(F)(F)F)cc3)n2)cc1.Cc1c[c-]c(-c2cccc(-c3[c-]cc(C(F)(F)F)cc3)n2)cc1.Cl[Ni].Cl[Ni].[Ni+3].[Ni+3].[Ni+3].c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12
• InChI: InChI=1S/C23H20F3N.2C21H19N.2C19H12F3N.3C12H8N.2ClH.5Ni/c1-15-5-7-16(8-6-15)20-13-19(22(2,3)4)14-21(27-20)17-9-11-18(12-10-17)23(24,25)26;2*1-21(2,3)18-14-19(16-10-6-4-7-11-16)22-20(15-18)17-12-8-5-9-13-17;2*1-13-5-7-14(8-6-13)17-3-2-4-18(23-17)15-9-11-16(12-10-15)19(20,21)22;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;;/h5-7,9,11-14H,1-4H3;2*4-10,12,14-15H,1-3H3;2*2-7,9,11-12H,1H3;3*1-8H;2*1H;;;;;/q5*-2;3*-1;;;2*+1;3*+3/p-2
• InChIKey: ACGQKUJQXVIRLZ-UHFFFAOYSA-L
• XLogP: 38.17
• TPSA: 106.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2423.79
LogP ≤ 5	38.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butyl-2,6-di(phenyl)pyridine);4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+))?

The IUPAC name of bis(4-tert-butyl-2,6-di(phenyl)pyridine);4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+)) (CID 157352374) is bis(4-tert-butyl-2,6-di(phenyl)pyridine);4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+)).

What is the SMILES notation for bis(4-tert-butyl-2,6-di(phenyl)pyridine);4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+))?

The canonical SMILES for bis(4-tert-butyl-2,6-di(phenyl)pyridine);4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+)) is CC(C)(C)c1cc(-c2[c-]cccc2)nc(-c2[c-]cccc2)c1.CC(C)(C)c1cc(-c2[c-]cccc2)nc(-c2[c-]cccc2)c1.Cc1c[c-]c(-c2cc(C(C)(C)C)cc(-c3[c-]cc(C(F)(F)F)cc3)n2)cc1.Cc1c[c-]c(-c2cccc(-c3[c-]cc(C(F)(F)F)cc3)n2)cc1.Cc1c[c-]c(-c2cccc(-c3[c-]cc(C(F)(F)F)cc3)n2)cc1.Cl[Ni].Cl[Ni].[Ni+3].[Ni+3].[Ni+3].c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.

What is the InChIKey of bis(4-tert-butyl-2,6-di(phenyl)pyridine);4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+))?

The InChIKey is ACGQKUJQXVIRLZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H20F3N.2C21H19N.2C19H12F3N.3C12H8N.2ClH.5Ni/c1-15-5-7-16(8-6-15)20-13-19(22(2,3)4)14-21(27-20)17-9-11-18(12-10-17)23(24,25)26;2*1-21(2,3)18-14-19(16-10-6-4-7-11-16)22-20(15-18)17-12-8-5-9-13-17;2*1-13-5-7-14(8-6-13)17-3-2-4-18(23-17)15-9-11-16(12-10-15)19(20,21)22;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;;/h5-7,9,11-14H,1-4H3;2*4-10,12,14-15H,1-3H3;2*2-7,9,11-12H,1H3;3*1-8H;2*1H;;;;;/q5*-2;3*-1;;;2*+1;3*+3/p-2.

What are the key properties of bis(4-tert-butyl-2,6-di(phenyl)pyridine);4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+))?

bis(4-tert-butyl-2,6-di(phenyl)pyridine);4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+)) has a molecular weight of 2423.79 g/mol, XLogP of 38.17, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-tert-butyl-2,6-di(phenyl)pyridine);4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+)) is sourced from PubChem (CID 157352374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).