tris(acetonitrile);bis(cobalt(2+));bis(4-oxo-2-phenylchromen-3-olate);bis(1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine);diperchlorate

C96H79Cl2Co2N11O14 — CID 139131546

IUPACtris(acetonitrile);bis(cobalt(2+));bis(4-oxo-2-phenylchromen-3-olate);bis(1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine);diperchlorate
SMILESCC#N.CC#N.CC#N.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.[Co+2].[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(CN(Cc3ccccn3)Cc3cccc(-c4ccccc4)n3)n2)cc1.c1ccc(-c2cccc(CN(Cc3ccccn3)Cc3cccc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/2C30H26N4.2C15H10O3.3C2H3N.2ClHO4.2Co/c2*1-3-11-24(12-4-1)29-18-9-16-27(32-29)22-34(21-26-15-7-8-20-31-26)23-28-17-10-19-30(33-28)25-13-5-2-6-14-25;2*16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;3*1-2-3;2*2-1(3,4)5;;/h2*1-20H,21-23H2;2*1-9,17H;3*1H3;2*(H,2,3,4,5);;/q;;;;;;;;;2*+2/p-4
InChIKeyGLIAZXUOLCOJDZ-UHFFFAOYSA-J
MW1799.52 g/mol
LogP9.96
Rot. Bonds18

About tris(acetonitrile);bis(cobalt(2+));bis(4-oxo-2-phenylchromen-3-olate);bis(1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine);diperchlorate

tris(acetonitrile);bis(cobalt(2+));bis(4-oxo-2-phenylchromen-3-olate);bis(1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine);diperchlorate (PubChem CID 139131546) has the molecular formula C96H79Cl2Co2N11O14 and a molecular weight of 1799.52 g/mol. Its IUPAC name is tris(acetonitrile);bis(cobalt(2+));bis(4-oxo-2-phenylchromen-3-olate);bis(1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine);diperchlorate.

Molecular Properties

Compound Nametris(acetonitrile);bis(cobalt(2+));bis(4-oxo-2-phenylchromen-3-olate);bis(1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine);diperchlorate
PubChem CID139131546
Molecular FormulaC96H79Cl2Co2N11O14
Molecular Weight1799.52 g/mol
Exact Mass1797.38
IUPAC Nametris(acetonitrile);bis(cobalt(2+));bis(4-oxo-2-phenylchromen-3-olate);bis(1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine);diperchlorate
SMILESCC#N.CC#N.CC#N.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.[Co+2].[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(CN(Cc3ccccn3)Cc3cccc(-c4ccccc4)n3)n2)cc1.c1ccc(-c2cccc(CN(Cc3ccccn3)Cc3cccc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/2C30H26N4.2C15H10O3.3C2H3N.2ClHO4.2Co/c2*1-3-11-24(12-4-1)29-18-9-16-27(32-29)22-34(21-26-15-7-8-20-31-26)23-28-17-10-19-30(33-28)25-13-5-2-6-14-25;2*16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;3*1-2-3;2*2-1(3,4)5;;/h2*1-20H,21-23H2;2*1-9,17H;3*1H3;2*(H,2,3,4,5);;/q;;;;;;;;;2*+2/p-4
InChIKeyGLIAZXUOLCOJDZ-UHFFFAOYSA-J
XLogP9.96
TPSA446.21 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001799.52
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze tris(acetonitrile);bis(cobalt(2+));bis(4-oxo-2-phenylchromen-3-olate);bis(1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine);diperchlorate with MolForge

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Related Compounds

cadmium(2+);4-oxo-2-phenylchromen-3-olate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate
CID 139036960
acetonitrile;2-benzoyloxybenzoate;cadmium(2+);1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate
CID 139036963
Bis(mu-4,4'-oxydibenzoato)-kappa^3^O,O':O'';kappa^3^O'':O,O'-bis[(4'-phenyl-2,2':6',2''-terpyridine-kappa^3^N,N',N'')cobalt(II)]
CID 139062289
Bis(mu-4-oxo-2-phenyl-4H-chromen-3-olato)-kappa^3^O^3^:O^3^,O^4^;kappa^3^O^3^,O^4^:O^3^-bis[(2,2'-bipyridine-kappa^2^N,N')zinc(II)] bis(perchlorate)
CID 139062535
copper;ethoxyethane;2-phenylchromenylium-3,4-diolate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate
CID 139131543
Bis(manganese(2+));bis(2-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate
CID 139169987
manganese(3+);4-oxo-2-phenylchromen-3-olate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate
CID 168337215
Benzene;2-[2-(2-oxidophenyl)-2-oxoacetyl]phenolate;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));diperchlorate
CID 168343727
bis(N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine);bis(iron(5+));bis(2-oxidobenzoate);diperchlorate;trihydrate
CID 168350264
2-[4-[2-[3,5-bis[2-[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-[4-[2-[3,5-bis[2-[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyrazine;iridium;iridium(3+)
CID 141693124
5-[2-[2-dibenzofuran-4-yl-4-[5-[3-dibenzofuran-4-yl-4-[2-[3-[(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)-methylcarbamoyl]-5-[(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-6-id-1-yl)-methylcarbamoyl]phenyl]phenyl]benzene-6-id-1-yl]pyrazin-2-yl]benzene-5-id-1-yl]phenyl]-1-N,3-N-bis(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide;bis(iridium(3+))
CID 141693401
pentakis(iridium);tetrakis(4-methyl-2-phenylpyridine);2-phenyl-4-(trideuteriomethyl)pyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzofuran-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane
CID 157079353

Frequently Asked Questions

What is the IUPAC name of tris(acetonitrile);bis(cobalt(2+));bis(4-oxo-2-phenylchromen-3-olate);bis(1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine);diperchlorate?
The IUPAC name of tris(acetonitrile);bis(cobalt(2+));bis(4-oxo-2-phenylchromen-3-olate);bis(1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine);diperchlorate (CID 139131546) is tris(acetonitrile);bis(cobalt(2+));bis(4-oxo-2-phenylchromen-3-olate);bis(1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine);diperchlorate.
What is the SMILES notation for tris(acetonitrile);bis(cobalt(2+));bis(4-oxo-2-phenylchromen-3-olate);bis(1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine);diperchlorate?
The canonical SMILES for tris(acetonitrile);bis(cobalt(2+));bis(4-oxo-2-phenylchromen-3-olate);bis(1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine);diperchlorate is CC#N.CC#N.CC#N.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.[Co+2].[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(CN(Cc3ccccn3)Cc3cccc(-c4ccccc4)n3)n2)cc1.c1ccc(-c2cccc(CN(Cc3ccccn3)Cc3cccc(-c4ccccc4)n3)n2)cc1.
What is the InChIKey of tris(acetonitrile);bis(cobalt(2+));bis(4-oxo-2-phenylchromen-3-olate);bis(1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine);diperchlorate?
The InChIKey is GLIAZXUOLCOJDZ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C30H26N4.2C15H10O3.3C2H3N.2ClHO4.2Co/c2*1-3-11-24(12-4-1)29-18-9-16-27(32-29)22-34(21-26-15-7-8-20-31-26)23-28-17-10-19-30(33-28)25-13-5-2-6-14-25;2*16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;3*1-2-3;2*2-1(3,4)5;;/h2*1-20H,21-23H2;2*1-9,17H;3*1H3;2*(H,2,3,4,5);;/q;;;;;;;;;2*+2/p-4.
What are the key properties of tris(acetonitrile);bis(cobalt(2+));bis(4-oxo-2-phenylchromen-3-olate);bis(1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine);diperchlorate?
tris(acetonitrile);bis(cobalt(2+));bis(4-oxo-2-phenylchromen-3-olate);bis(1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine);diperchlorate has a molecular weight of 1799.52 g/mol, XLogP of 9.96, 18 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tris(acetonitrile);bis(cobalt(2+));bis(4-oxo-2-phenylchromen-3-olate);bis(1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine);diperchlorate is sourced from PubChem (CID 139131546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).