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

C104H78Cl2F6N6Ni4-4 — CID 159608696

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

bis(4-tert-butyl-2,6-di(phenyl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);bis(nickel(3+)) (PubChem CID 159608696) has the molecular formula C104H78Cl2F6N6Ni4-4 and a molecular weight of 1831.48 g/mol. Its IUPAC name is bis(4-tert-butyl-2,6-di(phenyl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);bis(nickel(3+)).

Molecular Properties

• Compound Name: bis(4-tert-butyl-2,6-di(phenyl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);bis(nickel(3+))
• PubChem CID: 159608696
• Molecular Formula: C104H78Cl2F6N6Ni4-4
• Molecular Weight: 1831.48 g/mol
• Exact Mass: 1826.30
• IUPAC Name: bis(4-tert-butyl-2,6-di(phenyl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);bis(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(-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].c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12
• InChI: InChI=1S/2C21H19N.2C19H12F3N.2C12H8N.2ClH.4Ni/c2*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;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;/h2*4-10,12,14-15H,1-3H3;2*2-7,9,11-12H,1H3;2*1-8H;2*1H;;;;/q4*-2;2*-1;;;2*+1;2*+3/p-2
• InChIKey: UPLLDBPOGOMFNW-UHFFFAOYSA-L
• XLogP: 28.58
• TPSA: 79.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1831.48
LogP ≤ 5	28.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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);bis(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);bis(nickel(3+))?

The IUPAC name of bis(4-tert-butyl-2,6-di(phenyl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);bis(nickel(3+)) (CID 159608696) is bis(4-tert-butyl-2,6-di(phenyl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);bis(nickel(3+)).

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

The canonical SMILES for bis(4-tert-butyl-2,6-di(phenyl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);bis(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(-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].c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.

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

The InChIKey is UPLLDBPOGOMFNW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H19N.2C19H12F3N.2C12H8N.2ClH.4Ni/c2*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;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;/h2*4-10,12,14-15H,1-3H3;2*2-7,9,11-12H,1H3;2*1-8H;2*1H;;;;/q4*-2;2*-1;;;2*+1;2*+3/p-2.

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

bis(4-tert-butyl-2,6-di(phenyl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);bis(nickel(3+)) has a molecular weight of 1831.48 g/mol, XLogP of 28.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-tert-butyl-2,6-di(phenyl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);bis(nickel(3+)) is sourced from PubChem (CID 159608696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).