2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;bis(2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;nickel;bis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol

C142H113Cl3F3N14Ni6O-4 — CID 161201932

About 2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;bis(2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;nickel;bis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol

2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;bis(2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;nickel;bis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol (PubChem CID 161201932) has the molecular formula C142H113Cl3F3N14Ni6O-4 and a molecular weight of 2547.07 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;bis(2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;nickel;bis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;bis(2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;nickel;bis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol
• PubChem CID: 161201932
• Molecular Formula: C142H113Cl3F3N14Ni6O-4
• Molecular Weight: 2547.07 g/mol
• Exact Mass: 2539.44
• IUPAC Name: 2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;bis(2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;nickel;bis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol
• SMILES: CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Cc1ccc(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)cc(C(C)(C)C)c2)nc1.Cl[Ni].Cl[Ni].Cl[Ni].Oc1ccccc1-c1ccc2c(n1)-c1[c-]c(-c3ccccn3)ccc1CC2.[Ni+2].[Ni+2].[Ni].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12
• InChI: InChI=1S/C24H17N2O.C22H20F3N2.2C20H19N2.2C16H11N2.2C12H8N.3ClH.6Ni/c27-23-7-2-1-5-19(23)22-13-12-17-10-8-16-9-11-18(15-20(16)24(17)26-22)21-6-3-4-14-25-21;1-14-5-7-19(26-12-14)15-9-16(11-18(10-15)21(2,3)4)20-8-6-17(13-27-20)22(23,24)25;2*1-20(2,3)17-13-15(18-8-4-6-10-21-18)12-16(14-17)19-9-5-7-11-22-19;2*1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;;;;/h1-7,9,11-14,27H,8,10H2;5-8,10-13H,1-4H3;2*4-11,13-14H,1-3H3;2*1-11H;2*1-8H;3*1H;;;;;;/q8*-1;;;;;3*+1;2*+2/p-3
• InChIKey: UEHBEJUUKXTKSD-UHFFFAOYSA-K
• XLogP: 36.31
• TPSA: 203.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2547.07
LogP ≤ 5	36.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;bis(2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;nickel;bis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol?

The IUPAC name of 2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;bis(2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;nickel;bis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol (CID 161201932) is 2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;bis(2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;nickel;bis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol.

What is the SMILES notation for 2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;bis(2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;nickel;bis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol?

The canonical SMILES for 2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;bis(2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;nickel;bis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol is CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Cc1ccc(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)cc(C(C)(C)C)c2)nc1.Cl[Ni].Cl[Ni].Cl[Ni].Oc1ccccc1-c1ccc2c(n1)-c1[c-]c(-c3ccccn3)ccc1CC2.[Ni+2].[Ni+2].[Ni].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.

What is the InChIKey of 2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;bis(2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;nickel;bis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol?

The InChIKey is UEHBEJUUKXTKSD-UHFFFAOYSA-K. The full InChI is InChI=1S/C24H17N2O.C22H20F3N2.2C20H19N2.2C16H11N2.2C12H8N.3ClH.6Ni/c27-23-7-2-1-5-19(23)22-13-12-17-10-8-16-9-11-18(15-20(16)24(17)26-22)21-6-3-4-14-25-21;1-14-5-7-19(26-12-14)15-9-16(11-18(10-15)21(2,3)4)20-8-6-17(13-27-20)22(23,24)25;2*1-20(2,3)17-13-15(18-8-4-6-10-21-18)12-16(14-17)19-9-5-7-11-22-19;2*1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;;;;/h1-7,9,11-14,27H,8,10H2;5-8,10-13H,1-4H3;2*4-11,13-14H,1-3H3;2*1-11H;2*1-8H;3*1H;;;;;;/q8*-1;;;;;3*+1;2*+2/p-3.

What are the key properties of 2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;bis(2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;nickel;bis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol?

2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;bis(2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;nickel;bis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol has a molecular weight of 2547.07 g/mol, XLogP of 36.31, 12 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;bis(2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;nickel;bis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol is sourced from PubChem (CID 161201932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).