[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;2-methylpropan-2-amine;bis(2,3,4,5,6-pentafluorophenol)

C38H42F10MoN2O2 — CID 10952944

About [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;2-methylpropan-2-amine;bis(2,3,4,5,6-pentafluorophenol)

[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;2-methylpropan-2-amine;bis(2,3,4,5,6-pentafluorophenol) (PubChem CID 10952944) has the molecular formula C38H42F10MoN2O2 and a molecular weight of 844.69 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;2-methylpropan-2-amine;bis(2,3,4,5,6-pentafluorophenol).

Molecular Properties

• Compound Name: [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;2-methylpropan-2-amine;bis(2,3,4,5,6-pentafluorophenol)
• PubChem CID: 10952944
• Molecular Formula: C38H42F10MoN2O2
• Molecular Weight: 844.69 g/mol
• Exact Mass: 846.21
• IUPAC Name: [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;2-methylpropan-2-amine;bis(2,3,4,5,6-pentafluorophenol)
• SMILES: CC(C)(C)N.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.Oc1c(F)c(F)c(F)c(F)c1F.Oc1c(F)c(F)c(F)c(F)c1F
• InChI: InChI=1S/C12H17N.C10H12.2C6HF5O.C4H11N.Mo/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;2*7-1-2(8)4(10)6(12)5(11)3(1)9;1-4(2,3)5;/h5-9H,1-4H3;1,4-8H,2-3H3;2*12H;5H2,1-3H3
• InChIKey: DOIIXFBIXPYSEU-UHFFFAOYSA-N
• XLogP: 11.53
• TPSA: 78.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.69
LogP ≤ 5	11.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;2-methylpropan-2-amine;bis(2,3,4,5,6-pentafluorophenol)?

The IUPAC name of [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;2-methylpropan-2-amine;bis(2,3,4,5,6-pentafluorophenol) (CID 10952944) is [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;2-methylpropan-2-amine;bis(2,3,4,5,6-pentafluorophenol).

What is the SMILES notation for [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;2-methylpropan-2-amine;bis(2,3,4,5,6-pentafluorophenol)?

The canonical SMILES for [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;2-methylpropan-2-amine;bis(2,3,4,5,6-pentafluorophenol) is CC(C)(C)N.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.Oc1c(F)c(F)c(F)c(F)c1F.Oc1c(F)c(F)c(F)c(F)c1F.

What is the InChIKey of [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;2-methylpropan-2-amine;bis(2,3,4,5,6-pentafluorophenol)?

The InChIKey is DOIIXFBIXPYSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C10H12.2C6HF5O.C4H11N.Mo/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;2*7-1-2(8)4(10)6(12)5(11)3(1)9;1-4(2,3)5;/h5-9H,1-4H3;1,4-8H,2-3H3;2*12H;5H2,1-3H3;.

What are the key properties of [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;2-methylpropan-2-amine;bis(2,3,4,5,6-pentafluorophenol)?

[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;2-methylpropan-2-amine;bis(2,3,4,5,6-pentafluorophenol) has a molecular weight of 844.69 g/mol, XLogP of 11.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;2-methylpropan-2-amine;bis(2,3,4,5,6-pentafluorophenol) is sourced from PubChem (CID 10952944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).