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

C100H78Cl2F6N10Ni4-2 — CID 158238067

IUPACbis(4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine);bis(carbazol-9-ide);chloronickel;bis(nickel(2+));bis(2-phenyl-6-pyridin-2-ylpyridine)
SMILESCc1c[c-]c(-c2cc(C(C)(C)C)cc(-c3ccc(C(F)(F)F)cn3)n2)cc1.Cc1c[c-]c(-c2cc(C(C)(C)C)cc(-c3ccc(C(F)(F)F)cn3)n2)cc1.Cl[Ni].Cl[Ni].[Ni+2].[Ni+2].[c-]1ccccc1-c1cccc(-c2ccccn2)n1.[c-]1ccccc1-c1cccc(-c2ccccn2)n1.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12
InChIInChI=1S/2C22H20F3N2.2C16H11N2.2C12H8N.2ClH.4Ni/c2*1-14-5-7-15(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*1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;/h2*5-7,9-13H,1-4H3;2*1-7,9-12H;2*1-8H;2*1H;;;;/q6*-1;;;2*+1;2*+2/p-2
InChIKeyGVRAUZBIVOKJKQ-UHFFFAOYSA-L
MW1839.46 g/mol
LogP26.96
Rot. Bonds8

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

bis(4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine);bis(carbazol-9-ide);chloronickel;bis(nickel(2+));bis(2-phenyl-6-pyridin-2-ylpyridine) (PubChem CID 158238067) has the molecular formula C100H78Cl2F6N10Ni4-2 and a molecular weight of 1839.46 g/mol. Its IUPAC name is bis(4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine);bis(carbazol-9-ide);chloronickel;bis(nickel(2+));bis(2-phenyl-6-pyridin-2-ylpyridine).

Molecular Properties

Compound Namebis(4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine);bis(carbazol-9-ide);chloronickel;bis(nickel(2+));bis(2-phenyl-6-pyridin-2-ylpyridine)
PubChem CID158238067
Molecular FormulaC100H78Cl2F6N10Ni4-2
Molecular Weight1839.46 g/mol
Exact Mass1834.31
IUPAC Namebis(4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine);bis(carbazol-9-ide);chloronickel;bis(nickel(2+));bis(2-phenyl-6-pyridin-2-ylpyridine)
SMILESCc1c[c-]c(-c2cc(C(C)(C)C)cc(-c3ccc(C(F)(F)F)cn3)n2)cc1.Cc1c[c-]c(-c2cc(C(C)(C)C)cc(-c3ccc(C(F)(F)F)cn3)n2)cc1.Cl[Ni].Cl[Ni].[Ni+2].[Ni+2].[c-]1ccccc1-c1cccc(-c2ccccn2)n1.[c-]1ccccc1-c1cccc(-c2ccccn2)n1.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12
InChIInChI=1S/2C22H20F3N2.2C16H11N2.2C12H8N.2ClH.4Ni/c2*1-14-5-7-15(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*1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;/h2*5-7,9-13H,1-4H3;2*1-7,9-12H;2*1-8H;2*1H;;;;/q6*-1;;;2*+1;2*+2/p-2
InChIKeyGVRAUZBIVOKJKQ-UHFFFAOYSA-L
XLogP26.96
TPSA131.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001839.46
LogP ≤ 526.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 bis(4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine);bis(carbazol-9-ide);chloronickel;bis(nickel(2+));bis(2-phenyl-6-pyridin-2-ylpyridine)?
The IUPAC name of bis(4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine);bis(carbazol-9-ide);chloronickel;bis(nickel(2+));bis(2-phenyl-6-pyridin-2-ylpyridine) (CID 158238067) is bis(4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine);bis(carbazol-9-ide);chloronickel;bis(nickel(2+));bis(2-phenyl-6-pyridin-2-ylpyridine).
What is the SMILES notation for bis(4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine);bis(carbazol-9-ide);chloronickel;bis(nickel(2+));bis(2-phenyl-6-pyridin-2-ylpyridine)?
The canonical SMILES for bis(4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine);bis(carbazol-9-ide);chloronickel;bis(nickel(2+));bis(2-phenyl-6-pyridin-2-ylpyridine) is Cc1c[c-]c(-c2cc(C(C)(C)C)cc(-c3ccc(C(F)(F)F)cn3)n2)cc1.Cc1c[c-]c(-c2cc(C(C)(C)C)cc(-c3ccc(C(F)(F)F)cn3)n2)cc1.Cl[Ni].Cl[Ni].[Ni+2].[Ni+2].[c-]1ccccc1-c1cccc(-c2ccccn2)n1.[c-]1ccccc1-c1cccc(-c2ccccn2)n1.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.
What is the InChIKey of bis(4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine);bis(carbazol-9-ide);chloronickel;bis(nickel(2+));bis(2-phenyl-6-pyridin-2-ylpyridine)?
The InChIKey is GVRAUZBIVOKJKQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H20F3N2.2C16H11N2.2C12H8N.2ClH.4Ni/c2*1-14-5-7-15(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*1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;;/h2*5-7,9-13H,1-4H3;2*1-7,9-12H;2*1-8H;2*1H;;;;/q6*-1;;;2*+1;2*+2/p-2.
What are the key properties of bis(4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine);bis(carbazol-9-ide);chloronickel;bis(nickel(2+));bis(2-phenyl-6-pyridin-2-ylpyridine)?
bis(4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine);bis(carbazol-9-ide);chloronickel;bis(nickel(2+));bis(2-phenyl-6-pyridin-2-ylpyridine) has a molecular weight of 1839.46 g/mol, XLogP of 26.96, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine);bis(carbazol-9-ide);chloronickel;bis(nickel(2+));bis(2-phenyl-6-pyridin-2-ylpyridine) is sourced from PubChem (CID 158238067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).