2-[6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[6-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;nickel;bis(nickel(2+));2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol;2-[9-(N-pyridin-2-ylanilino)-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl]phenol;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol

C120H88N13Ni5O5-3 — CID 158937525

About 2-[6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[6-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;nickel;bis(nickel(2+));2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol;2-[9-(N-pyridin-2-ylanilino)-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl]phenol;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol

2-[6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[6-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;nickel;bis(nickel(2+));2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol;2-[9-(N-pyridin-2-ylanilino)-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl]phenol;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol (PubChem CID 158937525) has the molecular formula C120H88N13Ni5O5-3 and a molecular weight of 2085.57 g/mol. Its IUPAC name is 2-[6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[6-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;nickel;bis(nickel(2+));2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol;2-[9-(N-pyridin-2-ylanilino)-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl]phenol;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol.

Molecular Properties

• Compound Name: 2-[6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[6-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;nickel;bis(nickel(2+));2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol;2-[9-(N-pyridin-2-ylanilino)-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl]phenol;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol
• PubChem CID: 158937525
• Molecular Formula: C120H88N13Ni5O5-3
• Molecular Weight: 2085.57 g/mol
• Exact Mass: 2080.38
• IUPAC Name: 2-[6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[6-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;nickel;bis(nickel(2+));2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol;2-[9-(N-pyridin-2-ylanilino)-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl]phenol;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol
• SMILES: CN1C=CN(c2[c-]c(-c3cccc(-c4ccccc4O)n3)ccc2)[CH-]1.CN1[CH-]N(c2[c-]c(-c3cccc(-c4ccccc4O)n3)ccc2)c2ccccc21.Oc1ccccc1-c1[c-]c(-c2cccc(-c3ccccn3)n2)ccc1.Oc1ccccc1-c1ccc2c(n1)-c1[c-]c(N(c3ccccc3)c3ccccn3)ccc1CC2.Oc1ccccc1-c1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.[Ni+2].[Ni+2].[Ni].[Ni].[Ni]
• InChI: InChI=1S/C30H22N3O.C25H19N3O.2C22H15N2O.C21H17N3O.5Ni/c34-28-11-5-4-10-25(28)27-18-16-22-14-13-21-15-17-24(20-26(21)30(22)32-27)33(23-8-2-1-3-9-23)29-12-6-7-19-31-29;1-27-17-28(24-14-4-3-13-23(24)27)19-9-6-8-18(16-19)21-11-7-12-22(26-21)20-10-2-5-15-25(20)29;25-22-13-2-1-9-18(22)16-7-5-8-17(15-16)19-11-6-12-21(24-19)20-10-3-4-14-23-20;25-22-15-5-4-10-17(22)19-12-7-14-21(24-19)20-13-6-11-18(23-20)16-8-2-1-3-9-16;1-23-12-13-24(15-23)17-7-4-6-16(14-17)19-9-5-10-20(22-19)18-8-2-3-11-21(18)25;;;;;/h1-12,15-19,34H,13-14H2;2-15,17,29H,1H3;1-14,25H;1-8,10-15,25H;2-13,15,25H,1H3;;;;;/q-1;-2;2*-1;-2;;;;2*+2
• InChIKey: ZAGWKKDTMHVRGN-UHFFFAOYSA-N
• XLogP: 26.73
• TPSA: 220.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2085.57
LogP ≤ 5	26.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[6-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;nickel;bis(nickel(2+));2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol;2-[9-(N-pyridin-2-ylanilino)-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl]phenol;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol?

The IUPAC name of 2-[6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[6-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;nickel;bis(nickel(2+));2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol;2-[9-(N-pyridin-2-ylanilino)-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl]phenol;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol (CID 158937525) is 2-[6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[6-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;nickel;bis(nickel(2+));2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol;2-[9-(N-pyridin-2-ylanilino)-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl]phenol;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol.

What is the SMILES notation for 2-[6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[6-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;nickel;bis(nickel(2+));2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol;2-[9-(N-pyridin-2-ylanilino)-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl]phenol;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol?

The canonical SMILES for 2-[6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[6-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;nickel;bis(nickel(2+));2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol;2-[9-(N-pyridin-2-ylanilino)-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl]phenol;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol is CN1C=CN(c2[c-]c(-c3cccc(-c4ccccc4O)n3)ccc2)[CH-]1.CN1[CH-]N(c2[c-]c(-c3cccc(-c4ccccc4O)n3)ccc2)c2ccccc21.Oc1ccccc1-c1[c-]c(-c2cccc(-c3ccccn3)n2)ccc1.Oc1ccccc1-c1ccc2c(n1)-c1[c-]c(N(c3ccccc3)c3ccccn3)ccc1CC2.Oc1ccccc1-c1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.[Ni+2].[Ni+2].[Ni].[Ni].[Ni].

What is the InChIKey of 2-[6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[6-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;nickel;bis(nickel(2+));2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol;2-[9-(N-pyridin-2-ylanilino)-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl]phenol;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol?

The InChIKey is ZAGWKKDTMHVRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N3O.C25H19N3O.2C22H15N2O.C21H17N3O.5Ni/c34-28-11-5-4-10-25(28)27-18-16-22-14-13-21-15-17-24(20-26(21)30(22)32-27)33(23-8-2-1-3-9-23)29-12-6-7-19-31-29;1-27-17-28(24-14-4-3-13-23(24)27)19-9-6-8-18(16-19)21-11-7-12-22(26-21)20-10-2-5-15-25(20)29;25-22-13-2-1-9-18(22)16-7-5-8-17(15-16)19-11-6-12-21(24-19)20-10-3-4-14-23-20;25-22-15-5-4-10-17(22)19-12-7-14-21(24-19)20-13-6-11-18(23-20)16-8-2-1-3-9-16;1-23-12-13-24(15-23)17-7-4-6-16(14-17)19-9-5-10-20(22-19)18-8-2-3-11-21(18)25;;;;;/h1-12,15-19,34H,13-14H2;2-15,17,29H,1H3;1-14,25H;1-8,10-15,25H;2-13,15,25H,1H3;;;;;/q-1;-2;2*-1;-2;;;;2*+2.

What are the key properties of 2-[6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[6-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;nickel;bis(nickel(2+));2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol;2-[9-(N-pyridin-2-ylanilino)-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl]phenol;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol?

2-[6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[6-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;nickel;bis(nickel(2+));2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol;2-[9-(N-pyridin-2-ylanilino)-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl]phenol;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol has a molecular weight of 2085.57 g/mol, XLogP of 26.73, 16 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[6-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;nickel;bis(nickel(2+));2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol;2-[9-(N-pyridin-2-ylanilino)-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl]phenol;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol is sourced from PubChem (CID 158937525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).