2-[4-(4-tert-butylphenyl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[4-fluoro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol

C126H87F2N10Ni5O5-5 — CID 161408040

About 2-[4-(4-tert-butylphenyl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[4-fluoro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol

2-[4-(4-tert-butylphenyl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[4-fluoro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol (PubChem CID 161408040) has the molecular formula C126H87F2N10Ni5O5-5 and a molecular weight of 2152.61 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[4-fluoro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol.

Molecular Properties

• Compound Name: 2-[4-(4-tert-butylphenyl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[4-fluoro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol
• PubChem CID: 161408040
• Molecular Formula: C126H87F2N10Ni5O5-5
• Molecular Weight: 2152.61 g/mol
• Exact Mass: 2147.36
• IUPAC Name: 2-[4-(4-tert-butylphenyl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[4-fluoro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol
• SMILES: CC(C)(C)c1ccc(-c2cc(-c3[c-]c(-c4ccccn4)ccc3)nc(-c3ccccc3O)c2)cc1.Oc1ccccc1-c1cc(F)cc(-c2[c-]c(-c3ccccn3)ccc2)n1.Oc1ccccc1-c1ccc2ccc3ccc(-c4ccccn4)[c-]c3c2n1.Oc1ccccc1-c1cccc(-c2[c-]c(-c3cc4ccccc4cn3)ccc2)n1.Oc1ccccc1-c1cccc(-c2[c-]c(-c3ccccn3)cc(F)c2)n1.[Ni].[Ni].[Ni].[Ni].[Ni]
• InChI: InChI=1S/C32H27N2O.C26H17N2O.C24H15N2O.2C22H14FN2O.5Ni/c1-32(2,3)26-16-14-22(15-17-26)25-20-29(34-30(21-25)27-11-4-5-13-31(27)35)24-10-8-9-23(19-24)28-12-6-7-18-33-28;29-26-14-4-3-11-22(26)24-13-6-12-23(28-24)19-9-5-10-20(15-19)25-16-18-7-1-2-8-21(18)17-27-25;27-23-7-2-1-5-19(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;23-17-13-20(25-21(14-17)18-8-1-2-10-22(18)26)16-7-5-6-15(12-16)19-9-3-4-11-24-19;23-17-13-15(19-7-3-4-11-24-19)12-16(14-17)20-8-5-9-21(25-20)18-6-1-2-10-22(18)26;;;;;/h4-18,20-21,35H,1-3H3;1-14,16-17,29H;1-14,27H;2*1-11,13-14,26H;;;;;/q5*-1
• InChIKey: WPQNNRCRDBEBJV-UHFFFAOYSA-N
• XLogP: 29.94
• TPSA: 230.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2152.61
LogP ≤ 5	29.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[4-fluoro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol?

The IUPAC name of 2-[4-(4-tert-butylphenyl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[4-fluoro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol (CID 161408040) is 2-[4-(4-tert-butylphenyl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[4-fluoro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol.

What is the SMILES notation for 2-[4-(4-tert-butylphenyl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[4-fluoro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol?

The canonical SMILES for 2-[4-(4-tert-butylphenyl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[4-fluoro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol is CC(C)(C)c1ccc(-c2cc(-c3[c-]c(-c4ccccn4)ccc3)nc(-c3ccccc3O)c2)cc1.Oc1ccccc1-c1cc(F)cc(-c2[c-]c(-c3ccccn3)ccc2)n1.Oc1ccccc1-c1ccc2ccc3ccc(-c4ccccn4)[c-]c3c2n1.Oc1ccccc1-c1cccc(-c2[c-]c(-c3cc4ccccc4cn3)ccc2)n1.Oc1ccccc1-c1cccc(-c2[c-]c(-c3ccccn3)cc(F)c2)n1.[Ni].[Ni].[Ni].[Ni].[Ni].

What is the InChIKey of 2-[4-(4-tert-butylphenyl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[4-fluoro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol?

The InChIKey is WPQNNRCRDBEBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N2O.C26H17N2O.C24H15N2O.2C22H14FN2O.5Ni/c1-32(2,3)26-16-14-22(15-17-26)25-20-29(34-30(21-25)27-11-4-5-13-31(27)35)24-10-8-9-23(19-24)28-12-6-7-18-33-28;29-26-14-4-3-11-22(26)24-13-6-12-23(28-24)19-9-5-10-20(15-19)25-16-18-7-1-2-8-21(18)17-27-25;27-23-7-2-1-5-19(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;23-17-13-20(25-21(14-17)18-8-1-2-10-22(18)26)16-7-5-6-15(12-16)19-9-3-4-11-24-19;23-17-13-15(19-7-3-4-11-24-19)12-16(14-17)20-8-5-9-21(25-20)18-6-1-2-10-22(18)26;;;;;/h4-18,20-21,35H,1-3H3;1-14,16-17,29H;1-14,27H;2*1-11,13-14,26H;;;;;/q5*-1;;;;;.

What are the key properties of 2-[4-(4-tert-butylphenyl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[4-fluoro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol?

2-[4-(4-tert-butylphenyl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[4-fluoro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol has a molecular weight of 2152.61 g/mol, XLogP of 29.94, 15 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-tert-butylphenyl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[4-fluoro-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-fluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol is sourced from PubChem (CID 161408040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).