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

C146H97Br2Cl4F6N9Ni6-6 — CID 158120477

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

bis(2-(3-bromobenzene-2-id-1-yl)-6-phenylpyridine);4-tert-butyl-2,6-di(phenyl)pyridine;tris(carbazol-9-ide);2-(3-chlorobenzene-2-id-1-yl)-6-phenylpyridine;chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+)) (PubChem CID 158120477) has the molecular formula C146H97Br2Cl4F6N9Ni6-6 and a molecular weight of 2745.21 g/mol. Its IUPAC name is bis(2-(3-bromobenzene-2-id-1-yl)-6-phenylpyridine);4-tert-butyl-2,6-di(phenyl)pyridine;tris(carbazol-9-ide);2-(3-chlorobenzene-2-id-1-yl)-6-phenylpyridine;chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+)).

Molecular Properties

• Compound Name: bis(2-(3-bromobenzene-2-id-1-yl)-6-phenylpyridine);4-tert-butyl-2,6-di(phenyl)pyridine;tris(carbazol-9-ide);2-(3-chlorobenzene-2-id-1-yl)-6-phenylpyridine;chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+))
• PubChem CID: 158120477
• Molecular Formula: C146H97Br2Cl4F6N9Ni6-6
• Molecular Weight: 2745.21 g/mol
• Exact Mass: 2735.10
• IUPAC Name: bis(2-(3-bromobenzene-2-id-1-yl)-6-phenylpyridine);4-tert-butyl-2,6-di(phenyl)pyridine;tris(carbazol-9-ide);2-(3-chlorobenzene-2-id-1-yl)-6-phenylpyridine;chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+))
• SMILES: Brc1[c-]c(-c2cccc(-c3[c-]cccc3)n2)ccc1.Brc1[c-]c(-c2cccc(-c3[c-]cccc3)n2)ccc1.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].Cl[Ni].Clc1[c-]c(-c2cccc(-c3[c-]cccc3)n2)ccc1.[Ni+3].[Ni+3].[Ni+3].c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12
• InChI: InChI=1S/C21H19N.2C19H12F3N.2C17H10BrN.C17H10ClN.3C12H8N.3ClH.6Ni/c1-21(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;3*18-15-9-4-8-14(12-15)17-11-5-10-16(19-17)13-6-2-1-3-7-13;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;;;;/h4-10,12,14-15H,1-3H3;2*2-7,9,11-12H,1H3;3*1-6,8-11H;3*1-8H;3*1H;;;;;;/q6*-2;3*-1;;;;3*+1;3*+3/p-3
• InChIKey: JDLBXRYNFBMQHJ-UHFFFAOYSA-K
• XLogP: 41.13
• TPSA: 119.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2745.21
LogP ≤ 5	41.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of bis(2-(3-bromobenzene-2-id-1-yl)-6-phenylpyridine);4-tert-butyl-2,6-di(phenyl)pyridine;tris(carbazol-9-ide);2-(3-chlorobenzene-2-id-1-yl)-6-phenylpyridine;chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+)) (CID 158120477) is bis(2-(3-bromobenzene-2-id-1-yl)-6-phenylpyridine);4-tert-butyl-2,6-di(phenyl)pyridine;tris(carbazol-9-ide);2-(3-chlorobenzene-2-id-1-yl)-6-phenylpyridine;chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+)).

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

The canonical SMILES for bis(2-(3-bromobenzene-2-id-1-yl)-6-phenylpyridine);4-tert-butyl-2,6-di(phenyl)pyridine;tris(carbazol-9-ide);2-(3-chlorobenzene-2-id-1-yl)-6-phenylpyridine;chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+)) is Brc1[c-]c(-c2cccc(-c3[c-]cccc3)n2)ccc1.Brc1[c-]c(-c2cccc(-c3[c-]cccc3)n2)ccc1.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].Cl[Ni].Clc1[c-]c(-c2cccc(-c3[c-]cccc3)n2)ccc1.[Ni+3].[Ni+3].[Ni+3].c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.

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

The InChIKey is JDLBXRYNFBMQHJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C21H19N.2C19H12F3N.2C17H10BrN.C17H10ClN.3C12H8N.3ClH.6Ni/c1-21(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;3*18-15-9-4-8-14(12-15)17-11-5-10-16(19-17)13-6-2-1-3-7-13;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;;;;/h4-10,12,14-15H,1-3H3;2*2-7,9,11-12H,1H3;3*1-6,8-11H;3*1-8H;3*1H;;;;;;/q6*-2;3*-1;;;;3*+1;3*+3/p-3.

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

bis(2-(3-bromobenzene-2-id-1-yl)-6-phenylpyridine);4-tert-butyl-2,6-di(phenyl)pyridine;tris(carbazol-9-ide);2-(3-chlorobenzene-2-id-1-yl)-6-phenylpyridine;chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+)) has a molecular weight of 2745.21 g/mol, XLogP of 41.13, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(3-bromobenzene-2-id-1-yl)-6-phenylpyridine);4-tert-butyl-2,6-di(phenyl)pyridine;tris(carbazol-9-ide);2-(3-chlorobenzene-2-id-1-yl)-6-phenylpyridine;chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);tris(nickel(3+)) is sourced from PubChem (CID 158120477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).