bis(2-[3-tert-butyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine);bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine;bis(nickel(3+))

C131H106Cl3F9N7Ni5-6 — CID 157236672

IUPACbis(2-[3-tert-butyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine);bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine;bis(nickel(3+))
SMILESCC(C)(C)c1cc(-c2[c-]cccc2)[c-]c(-c2ccccn2)c1.CC(C)(C)c1cc(-c2[c-]cccc2)[c-]c(-c2ccccn2)c1.Cc1c[c-]c(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)cc(C(C)(C)C)c2)cc1.Cc1c[c-]c(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)cc(C(C)(C)C)c2)cc1.Cc1c[c-]c(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)ccc2)cc1.Cl[Ni].Cl[Ni].Cl[Ni].[Ni+3].[Ni+3].c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12
InChIInChI=1S/2C23H20F3N.2C21H19N.C19H12F3N.2C12H8N.3ClH.5Ni/c2*1-15-5-7-16(8-6-15)17-11-18(13-20(12-17)22(2,3)4)21-10-9-19(14-27-21)23(24,25)26;2*1-21(2,3)19-14-17(16-9-5-4-6-10-16)13-18(15-19)20-11-7-8-12-22-20;1-13-5-7-14(8-6-13)15-3-2-4-16(11-15)18-10-9-17(12-23-18)19(20,21)22;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;;;/h2*5-7,9-10,12-14H,1-4H3;2*4-9,11-12,14-15H,1-3H3;2-7,9-10,12H,1H3;2*1-8H;3*1H;;;;;/q5*-2;2*-1;;;;3*+1;2*+3/p-3
InChIKeyYUPDSLYYLUNJCW-UHFFFAOYSA-K
MW2349.14 g/mol
LogP37.21
Rot. Bonds10

About bis(2-[3-tert-butyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine);bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine;bis(nickel(3+))

bis(2-[3-tert-butyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine);bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine;bis(nickel(3+)) (PubChem CID 157236672) has the molecular formula C131H106Cl3F9N7Ni5-6 and a molecular weight of 2349.14 g/mol. Its IUPAC name is bis(2-[3-tert-butyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine);bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine;bis(nickel(3+)).

Molecular Properties

Compound Namebis(2-[3-tert-butyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine);bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine;bis(nickel(3+))
PubChem CID157236672
Molecular FormulaC131H106Cl3F9N7Ni5-6
Molecular Weight2349.14 g/mol
Exact Mass2342.42
IUPAC Namebis(2-[3-tert-butyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine);bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine;bis(nickel(3+))
SMILESCC(C)(C)c1cc(-c2[c-]cccc2)[c-]c(-c2ccccn2)c1.CC(C)(C)c1cc(-c2[c-]cccc2)[c-]c(-c2ccccn2)c1.Cc1c[c-]c(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)cc(C(C)(C)C)c2)cc1.Cc1c[c-]c(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)cc(C(C)(C)C)c2)cc1.Cc1c[c-]c(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)ccc2)cc1.Cl[Ni].Cl[Ni].Cl[Ni].[Ni+3].[Ni+3].c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12
InChIInChI=1S/2C23H20F3N.2C21H19N.C19H12F3N.2C12H8N.3ClH.5Ni/c2*1-15-5-7-16(8-6-15)17-11-18(13-20(12-17)22(2,3)4)21-10-9-19(14-27-21)23(24,25)26;2*1-21(2,3)19-14-17(16-9-5-4-6-10-16)13-18(15-19)20-11-7-8-12-22-20;1-13-5-7-14(8-6-13)15-3-2-4-16(11-15)18-10-9-17(12-23-18)19(20,21)22;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;;;/h2*5-7,9-10,12-14H,1-4H3;2*4-9,11-12,14-15H,1-3H3;2-7,9-10,12H,1H3;2*1-8H;3*1H;;;;;/q5*-2;2*-1;;;;3*+1;2*+3/p-3
InChIKeyYUPDSLYYLUNJCW-UHFFFAOYSA-K
XLogP37.21
TPSA92.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002349.14
LogP ≤ 537.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(2-[3-tert-butyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine);bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine;bis(nickel(3+)) with MolForge

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Related Compounds

4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
[Ir(dF[CF3]ppy)2(dtbbpy)]PF6
CID 60160592
Benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))
CID 139132391
Tetrakis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);hexane;methanolate;bis(rhodium(3+));bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139141108
Gross107 (Sudhakar)
CID 139174614
bis(1-[5-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]-N,N-bis[[5-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]methyl]methanamine);hexane;decakis(pyridine);bis(uranium(4+))
CID 168337712
bis(2-[2-carbazol-9-yl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine);platinum(2+)
CID 57872665
bis(2-[2-carbazol-9-yl-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine);platinum(2+)
CID 57873264
2-(2-carbazol-9-yl-5-methylbenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;1-[2-[2-carbazol-9-yl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum(2+)
CID 58401636
Bis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+)
CID 58510471
CID 59221919
CID 59221919

Frequently Asked Questions

What is the IUPAC name of bis(2-[3-tert-butyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine);bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine;bis(nickel(3+))?
The IUPAC name of bis(2-[3-tert-butyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine);bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine;bis(nickel(3+)) (CID 157236672) is bis(2-[3-tert-butyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine);bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine;bis(nickel(3+)).
What is the SMILES notation for bis(2-[3-tert-butyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine);bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine;bis(nickel(3+))?
The canonical SMILES for bis(2-[3-tert-butyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine);bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine;bis(nickel(3+)) is CC(C)(C)c1cc(-c2[c-]cccc2)[c-]c(-c2ccccn2)c1.CC(C)(C)c1cc(-c2[c-]cccc2)[c-]c(-c2ccccn2)c1.Cc1c[c-]c(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)cc(C(C)(C)C)c2)cc1.Cc1c[c-]c(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)cc(C(C)(C)C)c2)cc1.Cc1c[c-]c(-c2[c-]c(-c3ccc(C(F)(F)F)cn3)ccc2)cc1.Cl[Ni].Cl[Ni].Cl[Ni].[Ni+3].[Ni+3].c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.
What is the InChIKey of bis(2-[3-tert-butyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine);bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine;bis(nickel(3+))?
The InChIKey is YUPDSLYYLUNJCW-UHFFFAOYSA-K. The full InChI is InChI=1S/2C23H20F3N.2C21H19N.C19H12F3N.2C12H8N.3ClH.5Ni/c2*1-15-5-7-16(8-6-15)17-11-18(13-20(12-17)22(2,3)4)21-10-9-19(14-27-21)23(24,25)26;2*1-21(2,3)19-14-17(16-9-5-4-6-10-16)13-18(15-19)20-11-7-8-12-22-20;1-13-5-7-14(8-6-13)15-3-2-4-16(11-15)18-10-9-17(12-23-18)19(20,21)22;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;;;/h2*5-7,9-10,12-14H,1-4H3;2*4-9,11-12,14-15H,1-3H3;2-7,9-10,12H,1H3;2*1-8H;3*1H;;;;;/q5*-2;2*-1;;;;3*+1;2*+3/p-3.
What are the key properties of bis(2-[3-tert-butyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine);bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine;bis(nickel(3+))?
bis(2-[3-tert-butyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine);bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine;bis(nickel(3+)) has a molecular weight of 2349.14 g/mol, XLogP of 37.21, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[3-tert-butyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine);bis(2-(3-tert-butyl-5-phenylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;2-[3-(4-methylbenzene-6-id-1-yl)benzene-2-id-1-yl]-5-(trifluoromethyl)pyridine;bis(nickel(3+)) is sourced from PubChem (CID 157236672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).