2-bromo-6-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);bis(nickel(3+));propane

C136H123BrCl3F6N7Ni5-11 — CID 159103194

About 2-bromo-6-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);bis(nickel(3+));propane

2-bromo-6-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);bis(nickel(3+));propane (PubChem CID 159103194) has the molecular formula C136H123BrCl3F6N7Ni5-11 and a molecular weight of 2449.24 g/mol. Its IUPAC name is 2-bromo-6-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);bis(nickel(3+));propane.

Molecular Properties

• Compound Name: 2-bromo-6-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);bis(nickel(3+));propane
• PubChem CID: 159103194
• Molecular Formula: C136H123BrCl3F6N7Ni5-11
• Molecular Weight: 2449.24 g/mol
• Exact Mass: 2441.48
• IUPAC Name: 2-bromo-6-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);bis(nickel(3+));propane
• SMILES: Brc1cccc(-c2[c-]c(-c3[c-]cccc3)ccc2)n1.CC(C)(C)c1cc(-c2[c-]cccc2)[c-]c(-c2ccccn2)c1.CC(C)(C)c1cc(-c2[c-]cccc2)[c-]c(-c2ccccn2)c1.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.Cc1c[c-]c(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)ccc2)cc1.Cc1c[c-]c(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)ccc2)cc1.Cl[Ni].Cl[Ni].Cl[Ni].[Ni+3].[Ni+3].c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12
• InChI: InChI=1S/2C21H19N.2C19H12F3N.C17H10BrN.2C12H8N.5C3H7.3ClH.5Ni/c2*1-21(2,3)19-14-17(16-9-5-4-6-10-16)13-18(15-19)20-11-7-8-12-22-20;2*1-13-5-7-14(8-6-13)15-3-2-4-16(11-15)18-10-9-17(12-23-18)19(20,21)22;18-17-11-5-10-16(19-17)15-9-4-8-14(12-15)13-6-2-1-3-7-13;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;5*1-3-2;;;;;;;;/h2*4-9,11-12,14-15H,1-3H3;2*2-7,9-10,12H,1H3;1-6,8-11H;2*1-8H;5*3H,1-2H3;3*1H;;;;;/q5*-2;7*-1;;;;3*+1;2*+3/p-3
• InChIKey: NMGRWNZCXDDXSK-UHFFFAOYSA-K
• XLogP: 40.20
• TPSA: 92.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2449.24
LogP ≤ 5	40.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 2-bromo-6-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);bis(nickel(3+));propane?

The IUPAC name of 2-bromo-6-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);bis(nickel(3+));propane (CID 159103194) is 2-bromo-6-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);bis(nickel(3+));propane.

What is the SMILES notation for 2-bromo-6-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);bis(nickel(3+));propane?

The canonical SMILES for 2-bromo-6-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);bis(nickel(3+));propane is Brc1cccc(-c2[c-]c(-c3[c-]cccc3)ccc2)n1.CC(C)(C)c1cc(-c2[c-]cccc2)[c-]c(-c2ccccn2)c1.CC(C)(C)c1cc(-c2[c-]cccc2)[c-]c(-c2ccccn2)c1.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.Cc1c[c-]c(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)ccc2)cc1.Cc1c[c-]c(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)ccc2)cc1.Cl[Ni].Cl[Ni].Cl[Ni].[Ni+3].[Ni+3].c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.

What is the InChIKey of 2-bromo-6-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);bis(nickel(3+));propane?

The InChIKey is NMGRWNZCXDDXSK-UHFFFAOYSA-K. The full InChI is InChI=1S/2C21H19N.2C19H12F3N.C17H10BrN.2C12H8N.5C3H7.3ClH.5Ni/c2*1-21(2,3)19-14-17(16-9-5-4-6-10-16)13-18(15-19)20-11-7-8-12-22-20;2*1-13-5-7-14(8-6-13)15-3-2-4-16(11-15)18-10-9-17(12-23-18)19(20,21)22;18-17-11-5-10-16(19-17)15-9-4-8-14(12-15)13-6-2-1-3-7-13;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;5*1-3-2;;;;;;;;/h2*4-9,11-12,14-15H,1-3H3;2*2-7,9-10,12H,1H3;1-6,8-11H;2*1-8H;5*3H,1-2H3;3*1H;;;;;/q5*-2;7*-1;;;;3*+1;2*+3/p-3.

What are the key properties of 2-bromo-6-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);bis(nickel(3+));propane?

2-bromo-6-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);bis(nickel(3+));propane has a molecular weight of 2449.24 g/mol, XLogP of 40.20, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;bis(2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);bis(nickel(3+));propane is sourced from PubChem (CID 159103194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).