bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);bis(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);pentakis(carbazol-9-ide);chloronickel;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);pentakis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)

C244H184Br2Cl5F12N25Ni10-5 — CID 160512247

IUPACbis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);bis(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);pentakis(carbazol-9-ide);chloronickel;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);pentakis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)
SMILESBrc1cccc(-c2[c-]c(-c3ccccn3)ccc2)n1.Brc1cccc(-c2[c-]c(-c3ccccn3)ccc2)n1.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.Cc1ccc(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)cc(C(C)(C)C)c2)nc1.Cc1ccc(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)ccc2)nc1.Cc1ccc(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)ccc2)nc1.Cl[Ni].Cl[Ni].Cl[Ni].Cl[Ni].Cl[Ni].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12
InChIInChI=1S/2C22H20F3N2.2C20H19N2.2C18H12F3N2.2C16H10BrN2.2C16H11N2.5C12H8N.5ClH.10Ni/c2*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*1-12-5-7-16(22-10-12)13-3-2-4-14(9-13)17-8-6-15(11-23-17)18(19,20)21;2*17-16-9-4-8-15(19-16)13-6-3-5-12(11-13)14-7-1-2-10-18-14;2*1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;5*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;;;;;;;;;;/h2*5-8,10-13H,1-4H3;2*4-11,13-14H,1-3H3;2*2-8,10-11H,1H3;2*1-10H;2*1-11H;5*1-8H;5*1H;;;;;;;;;;/q15*-1;;;;;;5*+1;5*+2/p-5
InChIKeyRQZOWKWPSZDXIF-UHFFFAOYSA-I
MW4618.31 g/mol
LogP66.31
Rot. Bonds20

About bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);bis(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);pentakis(carbazol-9-ide);chloronickel;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);pentakis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)

bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);bis(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);pentakis(carbazol-9-ide);chloronickel;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);pentakis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) (PubChem CID 160512247) has the molecular formula C244H184Br2Cl5F12N25Ni10-5 and a molecular weight of 4618.31 g/mol. Its IUPAC name is bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);bis(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);pentakis(carbazol-9-ide);chloronickel;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);pentakis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine).

Molecular Properties

Compound Namebis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);bis(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);pentakis(carbazol-9-ide);chloronickel;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);pentakis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)
PubChem CID160512247
Molecular FormulaC244H184Br2Cl5F12N25Ni10-5
Molecular Weight4618.31 g/mol
Exact Mass4603.53
IUPAC Namebis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);bis(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);pentakis(carbazol-9-ide);chloronickel;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);pentakis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)
SMILESBrc1cccc(-c2[c-]c(-c3ccccn3)ccc2)n1.Brc1cccc(-c2[c-]c(-c3ccccn3)ccc2)n1.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.Cc1ccc(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)cc(C(C)(C)C)c2)nc1.Cc1ccc(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)ccc2)nc1.Cc1ccc(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)ccc2)nc1.Cl[Ni].Cl[Ni].Cl[Ni].Cl[Ni].Cl[Ni].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12
InChIInChI=1S/2C22H20F3N2.2C20H19N2.2C18H12F3N2.2C16H10BrN2.2C16H11N2.5C12H8N.5ClH.10Ni/c2*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*1-12-5-7-16(22-10-12)13-3-2-4-14(9-13)17-8-6-15(11-23-17)18(19,20)21;2*17-16-9-4-8-15(19-16)13-6-3-5-12(11-13)14-7-1-2-10-18-14;2*1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;5*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;;;;;;;;;;/h2*5-8,10-13H,1-4H3;2*4-11,13-14H,1-3H3;2*2-8,10-11H,1H3;2*1-10H;2*1-11H;5*1-8H;5*1H;;;;;;;;;;/q15*-1;;;;;;5*+1;5*+2/p-5
InChIKeyRQZOWKWPSZDXIF-UHFFFAOYSA-I
XLogP66.31
TPSA328.30 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms298
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004618.31
LogP ≤ 566.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);bis(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);pentakis(carbazol-9-ide);chloronickel;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);pentakis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);bis(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);pentakis(carbazol-9-ide);chloronickel;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);pentakis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?
The IUPAC name of bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);bis(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);pentakis(carbazol-9-ide);chloronickel;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);pentakis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) (CID 160512247) is bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);bis(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);pentakis(carbazol-9-ide);chloronickel;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);pentakis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine).
What is the SMILES notation for bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);bis(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);pentakis(carbazol-9-ide);chloronickel;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);pentakis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?
The canonical SMILES for bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);bis(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);pentakis(carbazol-9-ide);chloronickel;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);pentakis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) is Brc1cccc(-c2[c-]c(-c3ccccn3)ccc2)n1.Brc1cccc(-c2[c-]c(-c3ccccn3)ccc2)n1.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.Cc1ccc(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)cc(C(C)(C)C)c2)nc1.Cc1ccc(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)ccc2)nc1.Cc1ccc(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)ccc2)nc1.Cl[Ni].Cl[Ni].Cl[Ni].Cl[Ni].Cl[Ni].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.
What is the InChIKey of bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);bis(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);pentakis(carbazol-9-ide);chloronickel;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);pentakis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?
The InChIKey is RQZOWKWPSZDXIF-UHFFFAOYSA-I. The full InChI is InChI=1S/2C22H20F3N2.2C20H19N2.2C18H12F3N2.2C16H10BrN2.2C16H11N2.5C12H8N.5ClH.10Ni/c2*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*1-12-5-7-16(22-10-12)13-3-2-4-14(9-13)17-8-6-15(11-23-17)18(19,20)21;2*17-16-9-4-8-15(19-16)13-6-3-5-12(11-13)14-7-1-2-10-18-14;2*1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;5*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;;;;;;;;;;/h2*5-8,10-13H,1-4H3;2*4-11,13-14H,1-3H3;2*2-8,10-11H,1H3;2*1-10H;2*1-11H;5*1-8H;5*1H;;;;;;;;;;/q15*-1;;;;;;5*+1;5*+2/p-5.
What are the key properties of bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);bis(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);pentakis(carbazol-9-ide);chloronickel;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);pentakis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?
bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);bis(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);pentakis(carbazol-9-ide);chloronickel;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);pentakis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) has a molecular weight of 4618.31 g/mol, XLogP of 66.31, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-bromo-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);bis(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);pentakis(carbazol-9-ide);chloronickel;bis(2-[3-(5-methyl-2-pyridinyl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine);pentakis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) is sourced from PubChem (CID 160512247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).