4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(4-tert-butyl-2-phenyl-6-pyridin-2-ylpyridine);bis(carbazol-9-ide);chloronickel;2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(nickel(2+))

C104H86Cl2F6N10Ni4-2 — CID 158211177

IUPAC4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(4-tert-butyl-2-phenyl-6-pyridin-2-ylpyridine);bis(carbazol-9-ide);chloronickel;2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(nickel(2+))
SMILESCC(C)(C)c1cc(-c2[c-]cccc2)nc(-c2ccccn2)c1.CC(C)(C)c1cc(-c2[c-]cccc2)nc(-c2ccccn2)c1.Cc1c[c-]c(-c2cc(C(C)(C)C)cc(-c3ccc(C(F)(F)F)cn3)n2)cc1.Cc1c[c-]c(-c2cccc(-c3ccc(C(F)(F)F)cn3)n2)cc1.Cl[Ni].Cl[Ni].[Ni+2].[Ni+2].c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12
InChIInChI=1S/C22H20F3N2.2C20H19N2.C18H12F3N2.2C12H8N.2ClH.4Ni/c1-14-5-7-15(8-6-14)19-11-17(21(2,3)4)12-20(27-19)18-10-9-16(13-26-18)22(23,24)25;2*1-20(2,3)16-13-18(15-9-5-4-6-10-15)22-19(14-16)17-11-7-8-12-21-17;1-12-5-7-13(8-6-12)15-3-2-4-17(23-15)16-10-9-14(11-22-16)18(19,20)21;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;/h5-7,9-13H,1-4H3;2*4-9,11-14H,1-3H3;2-7,9-11H,1H3;2*1-8H;2*1H;;;;/q6*-1;;;2*+1;2*+2/p-2
InChIKeyGKEZVICMIVJXNI-UHFFFAOYSA-L
MW1895.57 g/mol
LogP28.26
Rot. Bonds8

About 4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(4-tert-butyl-2-phenyl-6-pyridin-2-ylpyridine);bis(carbazol-9-ide);chloronickel;2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(nickel(2+))

4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(4-tert-butyl-2-phenyl-6-pyridin-2-ylpyridine);bis(carbazol-9-ide);chloronickel;2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(nickel(2+)) (PubChem CID 158211177) has the molecular formula C104H86Cl2F6N10Ni4-2 and a molecular weight of 1895.57 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(4-tert-butyl-2-phenyl-6-pyridin-2-ylpyridine);bis(carbazol-9-ide);chloronickel;2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(nickel(2+)).

Molecular Properties

Compound Name4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(4-tert-butyl-2-phenyl-6-pyridin-2-ylpyridine);bis(carbazol-9-ide);chloronickel;2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(nickel(2+))
PubChem CID158211177
Molecular FormulaC104H86Cl2F6N10Ni4-2
Molecular Weight1895.57 g/mol
Exact Mass1890.37
IUPAC Name4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(4-tert-butyl-2-phenyl-6-pyridin-2-ylpyridine);bis(carbazol-9-ide);chloronickel;2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(nickel(2+))
SMILESCC(C)(C)c1cc(-c2[c-]cccc2)nc(-c2ccccn2)c1.CC(C)(C)c1cc(-c2[c-]cccc2)nc(-c2ccccn2)c1.Cc1c[c-]c(-c2cc(C(C)(C)C)cc(-c3ccc(C(F)(F)F)cn3)n2)cc1.Cc1c[c-]c(-c2cccc(-c3ccc(C(F)(F)F)cn3)n2)cc1.Cl[Ni].Cl[Ni].[Ni+2].[Ni+2].c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12
InChIInChI=1S/C22H20F3N2.2C20H19N2.C18H12F3N2.2C12H8N.2ClH.4Ni/c1-14-5-7-15(8-6-14)19-11-17(21(2,3)4)12-20(27-19)18-10-9-16(13-26-18)22(23,24)25;2*1-20(2,3)16-13-18(15-9-5-4-6-10-15)22-19(14-16)17-11-7-8-12-21-17;1-12-5-7-13(8-6-12)15-3-2-4-17(23-15)16-10-9-14(11-22-16)18(19,20)21;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;/h5-7,9-13H,1-4H3;2*4-9,11-14H,1-3H3;2-7,9-11H,1H3;2*1-8H;2*1H;;;;/q6*-1;;;2*+1;2*+2/p-2
InChIKeyGKEZVICMIVJXNI-UHFFFAOYSA-L
XLogP28.26
TPSA131.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001895.57
LogP ≤ 528.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

[mu-1,2-Bis(4-pyridyl)ethane-kappa^2^N:N']bis[(4'-phenyl-2,2':6',2''-terpyridine-kappa^3^N,N',N'')silver(I)] bis(trifluoromethanesulfonate)
CID 139080008
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
1,1-dipyridin-2-yl-N,N-bis(quinolin-2-ylmethyl)methanamine;iron(3+);toluene;bis(trifluoromethanesulfonate)
CID 168302798
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
Nickel(2+);bis(pentane);bis(quinolin-8-yl-[2-(trifluoromethyl)phenanthridin-4-yl]azanide)
CID 168341947
Bis(ruthenium(1+));bis(5,10,15-tris[4-(trifluoromethyl)phenyl]corrin-5,10,15-triylium-21,22,23,24-tetraide)
CID 168344774
Bis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+)
CID 58510471
CID 59221919
CID 59221919
9-[2,6-Bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]pyridin-3-yl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]pyridin-3-yl]phenyl]pyridin-4-yl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole
CID 139313534
Bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
CID 140775454

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(4-tert-butyl-2-phenyl-6-pyridin-2-ylpyridine);bis(carbazol-9-ide);chloronickel;2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(nickel(2+))?
The IUPAC name of 4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(4-tert-butyl-2-phenyl-6-pyridin-2-ylpyridine);bis(carbazol-9-ide);chloronickel;2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(nickel(2+)) (CID 158211177) is 4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(4-tert-butyl-2-phenyl-6-pyridin-2-ylpyridine);bis(carbazol-9-ide);chloronickel;2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(nickel(2+)).
What is the SMILES notation for 4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(4-tert-butyl-2-phenyl-6-pyridin-2-ylpyridine);bis(carbazol-9-ide);chloronickel;2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(nickel(2+))?
The canonical SMILES for 4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(4-tert-butyl-2-phenyl-6-pyridin-2-ylpyridine);bis(carbazol-9-ide);chloronickel;2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(nickel(2+)) is CC(C)(C)c1cc(-c2[c-]cccc2)nc(-c2ccccn2)c1.CC(C)(C)c1cc(-c2[c-]cccc2)nc(-c2ccccn2)c1.Cc1c[c-]c(-c2cc(C(C)(C)C)cc(-c3ccc(C(F)(F)F)cn3)n2)cc1.Cc1c[c-]c(-c2cccc(-c3ccc(C(F)(F)F)cn3)n2)cc1.Cl[Ni].Cl[Ni].[Ni+2].[Ni+2].c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.
What is the InChIKey of 4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(4-tert-butyl-2-phenyl-6-pyridin-2-ylpyridine);bis(carbazol-9-ide);chloronickel;2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(nickel(2+))?
The InChIKey is GKEZVICMIVJXNI-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H20F3N2.2C20H19N2.C18H12F3N2.2C12H8N.2ClH.4Ni/c1-14-5-7-15(8-6-14)19-11-17(21(2,3)4)12-20(27-19)18-10-9-16(13-26-18)22(23,24)25;2*1-20(2,3)16-13-18(15-9-5-4-6-10-15)22-19(14-16)17-11-7-8-12-21-17;1-12-5-7-13(8-6-12)15-3-2-4-17(23-15)16-10-9-14(11-22-16)18(19,20)21;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;/h5-7,9-13H,1-4H3;2*4-9,11-14H,1-3H3;2-7,9-11H,1H3;2*1-8H;2*1H;;;;/q6*-1;;;2*+1;2*+2/p-2.
What are the key properties of 4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(4-tert-butyl-2-phenyl-6-pyridin-2-ylpyridine);bis(carbazol-9-ide);chloronickel;2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(nickel(2+))?
4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(4-tert-butyl-2-phenyl-6-pyridin-2-ylpyridine);bis(carbazol-9-ide);chloronickel;2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(nickel(2+)) has a molecular weight of 1895.57 g/mol, XLogP of 28.26, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(4-tert-butyl-2-phenyl-6-pyridin-2-ylpyridine);bis(carbazol-9-ide);chloronickel;2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(nickel(2+)) is sourced from PubChem (CID 158211177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).