carbanide;2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);methane;tris(2-methoxy-6-methylphenol)

C146H177Mo3N6O8- — CID 159541361

About carbanide;2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);methane;tris(2-methoxy-6-methylphenol)

carbanide;2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);methane;tris(2-methoxy-6-methylphenol) (PubChem CID 159541361) has the molecular formula C146H177Mo3N6O8- and a molecular weight of 2431.88 g/mol. Its IUPAC name is carbanide;2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);methane;tris(2-methoxy-6-methylphenol).

Molecular Properties

• Compound Name: carbanide;2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);methane;tris(2-methoxy-6-methylphenol)
• PubChem CID: 159541361
• Molecular Formula: C146H177Mo3N6O8-
• Molecular Weight: 2431.88 g/mol
• Exact Mass: 2436.08
• IUPAC Name: carbanide;2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);methane;tris(2-methoxy-6-methylphenol)
• SMILES: C.CC(C)c1cccc(C(C)C)c1N=[Mo+2]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.COc1cccc(C)c1O.COc1cccc(C)c1O.COc1cccc(C)c1O.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[nH]1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.[CH3-]
• InChI: InChI=1S/2C18H14O.3C12H17N.3C10H12.3C8H10O2.C6H9N.2C6H8N.CH4.CH3.3Mo/c2*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*1-10(2,3)9-7-5-4-6-8-9;3*1-6-4-3-5-7(10-2)8(6)9;3*1-5-3-4-6(2)7-5;;;;;/h2*1-13,19H;3*5-9H,1-4H3;3*1,4-8H,2-3H3;3*3-5,9H,1-2H3;3-4,7H,1-2H3;2*3-4H,1-2H3;1H4;1H3;;;/q;;;;;;;;;;;;2*-1;;-1;;;+2
• InChIKey: RBXFCVKLBFXDLE-UHFFFAOYSA-N
• XLogP: 39.65
• TPSA: 209.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 22
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2431.88
LogP ≤ 5	39.65
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);methane;tris(2-methoxy-6-methylphenol)?

The IUPAC name of carbanide;2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);methane;tris(2-methoxy-6-methylphenol) (CID 159541361) is carbanide;2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);methane;tris(2-methoxy-6-methylphenol).

What is the SMILES notation for carbanide;2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);methane;tris(2-methoxy-6-methylphenol)?

The canonical SMILES for carbanide;2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);methane;tris(2-methoxy-6-methylphenol) is C.CC(C)c1cccc(C(C)C)c1N=[Mo+2]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.COc1cccc(C)c1O.COc1cccc(C)c1O.COc1cccc(C)c1O.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[nH]1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.[CH3-].

What is the InChIKey of carbanide;2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);methane;tris(2-methoxy-6-methylphenol)?

The InChIKey is RBXFCVKLBFXDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14O.3C12H17N.3C10H12.3C8H10O2.C6H9N.2C6H8N.CH4.CH3.3Mo/c2*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*1-10(2,3)9-7-5-4-6-8-9;3*1-6-4-3-5-7(10-2)8(6)9;3*1-5-3-4-6(2)7-5;;;;;/h2*1-13,19H;3*5-9H,1-4H3;3*1,4-8H,2-3H3;3*3-5,9H,1-2H3;3-4,7H,1-2H3;2*3-4H,1-2H3;1H4;1H3;;;/q;;;;;;;;;;;;2*-1;;-1;;;+2.

What are the key properties of carbanide;2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);methane;tris(2-methoxy-6-methylphenol)?

carbanide;2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);methane;tris(2-methoxy-6-methylphenol) has a molecular weight of 2431.88 g/mol, XLogP of 39.65, 22 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);methane;tris(2-methoxy-6-methylphenol) is sourced from PubChem (CID 159541361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).