tetrakis(acetonitrile);chromium(3+);tris(N,N-diethyl-6-[1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]benzimidazol-2-yl]pyridine-2-carboxamide);hexakis(trifluoromethanesulfonate);ytterbium(3+)

C113H111CrF18N25O21S6Yb — CID 139119875

About tetrakis(acetonitrile);chromium(3+);tris(N,N-diethyl-6-[1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]benzimidazol-2-yl]pyridine-2-carboxamide);hexakis(trifluoromethanesulfonate);ytterbium(3+)

tetrakis(acetonitrile);chromium(3+);tris(N,N-diethyl-6-[1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]benzimidazol-2-yl]pyridine-2-carboxamide);hexakis(trifluoromethanesulfonate);ytterbium(3+) (PubChem CID 139119875) has the molecular formula C113H111CrF18N25O21S6Yb and a molecular weight of 2914.69 g/mol. Its IUPAC name is tetrakis(acetonitrile);chromium(3+);tris(N,N-diethyl-6-[1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]benzimidazol-2-yl]pyridine-2-carboxamide);hexakis(trifluoromethanesulfonate);ytterbium(3+).

Molecular Properties

• Compound Name: tetrakis(acetonitrile);chromium(3+);tris(N,N-diethyl-6-[1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]benzimidazol-2-yl]pyridine-2-carboxamide);hexakis(trifluoromethanesulfonate);ytterbium(3+)
• PubChem CID: 139119875
• Molecular Formula: C113H111CrF18N25O21S6Yb
• Molecular Weight: 2914.69 g/mol
• Exact Mass: 2913.52
• IUPAC Name: tetrakis(acetonitrile);chromium(3+);tris(N,N-diethyl-6-[1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]benzimidazol-2-yl]pyridine-2-carboxamide);hexakis(trifluoromethanesulfonate);ytterbium(3+)
• SMILES: CC#N.CC#N.CC#N.CC#N.CCN(CC)C(=O)c1cccc(-c2nc3cc(Cc4ccc5c(c4)nc(-c4ccc(C)cn4)n5C)ccc3n2C)n1.CCN(CC)C(=O)c1cccc(-c2nc3cc(Cc4ccc5c(c4)nc(-c4ccc(C)cn4)n5C)ccc3n2C)n1.CCN(CC)C(=O)c1cccc(-c2nc3cc(Cc4ccc5c(c4)nc(-c4ccc(C)cn4)n5C)ccc3n2C)n1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cr+3].[Yb+3]
• InChI: InChI=1S/3C33H33N7O.4C2H3N.6CHF3O3S.Cr.Yb/c3*1-6-40(7-2)33(41)26-10-8-9-25(35-26)32-37-28-19-23(13-16-30(28)39(32)5)17-22-12-15-29-27(18-22)36-31(38(29)4)24-14-11-21(3)20-34-24;4*1-2-3;6*2-1(3,4)8(5,6)7;;/h3*8-16,18-20H,6-7,17H2,1-5H3;4*1H3;6*(H,5,6,7);;/q;;;;;;;;;;;;;2*+3/p-6
• InChIKey: CSTMGVARWXPVOL-UHFFFAOYSA-H
• XLogP: 20.32
• TPSA: 683.55 Ų
• H-Bond Acceptors: 43
• Rotatable Bonds: 21
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2914.69
LogP ≤ 5	20.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(acetonitrile);chromium(3+);tris(N,N-diethyl-6-[1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]benzimidazol-2-yl]pyridine-2-carboxamide);hexakis(trifluoromethanesulfonate);ytterbium(3+)?

The IUPAC name of tetrakis(acetonitrile);chromium(3+);tris(N,N-diethyl-6-[1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]benzimidazol-2-yl]pyridine-2-carboxamide);hexakis(trifluoromethanesulfonate);ytterbium(3+) (CID 139119875) is tetrakis(acetonitrile);chromium(3+);tris(N,N-diethyl-6-[1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]benzimidazol-2-yl]pyridine-2-carboxamide);hexakis(trifluoromethanesulfonate);ytterbium(3+).

What is the SMILES notation for tetrakis(acetonitrile);chromium(3+);tris(N,N-diethyl-6-[1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]benzimidazol-2-yl]pyridine-2-carboxamide);hexakis(trifluoromethanesulfonate);ytterbium(3+)?

The canonical SMILES for tetrakis(acetonitrile);chromium(3+);tris(N,N-diethyl-6-[1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]benzimidazol-2-yl]pyridine-2-carboxamide);hexakis(trifluoromethanesulfonate);ytterbium(3+) is CC#N.CC#N.CC#N.CC#N.CCN(CC)C(=O)c1cccc(-c2nc3cc(Cc4ccc5c(c4)nc(-c4ccc(C)cn4)n5C)ccc3n2C)n1.CCN(CC)C(=O)c1cccc(-c2nc3cc(Cc4ccc5c(c4)nc(-c4ccc(C)cn4)n5C)ccc3n2C)n1.CCN(CC)C(=O)c1cccc(-c2nc3cc(Cc4ccc5c(c4)nc(-c4ccc(C)cn4)n5C)ccc3n2C)n1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cr+3].[Yb+3].

What is the InChIKey of tetrakis(acetonitrile);chromium(3+);tris(N,N-diethyl-6-[1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]benzimidazol-2-yl]pyridine-2-carboxamide);hexakis(trifluoromethanesulfonate);ytterbium(3+)?

The InChIKey is CSTMGVARWXPVOL-UHFFFAOYSA-H. The full InChI is InChI=1S/3C33H33N7O.4C2H3N.6CHF3O3S.Cr.Yb/c3*1-6-40(7-2)33(41)26-10-8-9-25(35-26)32-37-28-19-23(13-16-30(28)39(32)5)17-22-12-15-29-27(18-22)36-31(38(29)4)24-14-11-21(3)20-34-24;4*1-2-3;6*2-1(3,4)8(5,6)7;;/h3*8-16,18-20H,6-7,17H2,1-5H3;4*1H3;6*(H,5,6,7);;/q;;;;;;;;;;;;;2*+3/p-6.

What are the key properties of tetrakis(acetonitrile);chromium(3+);tris(N,N-diethyl-6-[1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]benzimidazol-2-yl]pyridine-2-carboxamide);hexakis(trifluoromethanesulfonate);ytterbium(3+)?

tetrakis(acetonitrile);chromium(3+);tris(N,N-diethyl-6-[1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]benzimidazol-2-yl]pyridine-2-carboxamide);hexakis(trifluoromethanesulfonate);ytterbium(3+) has a molecular weight of 2914.69 g/mol, XLogP of 20.32, 21 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(acetonitrile);chromium(3+);tris(N,N-diethyl-6-[1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]benzimidazol-2-yl]pyridine-2-carboxamide);hexakis(trifluoromethanesulfonate);ytterbium(3+) is sourced from PubChem (CID 139119875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).