2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol

C128H151F3Mo3N4O7 — CID 161075571

About 2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol

2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 161075571) has the molecular formula C128H151F3Mo3N4O7 and a molecular weight of 2202.45 g/mol. Its IUPAC name is 2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol
• PubChem CID: 161075571
• Molecular Formula: C128H151F3Mo3N4O7
• Molecular Weight: 2202.45 g/mol
• Exact Mass: 2206.87
• IUPAC Name: 2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol
• SMILES: CC(C)(C)O.CC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo]=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.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1cccc2cccnc12
• InChI: InChI=1S/C19H16O.C18H14O.3C12H17N.3C10H12.C9H7NO.C8H10O2.C4H7F3O.C4H10O.3Mo/c1-14-12-17(15-8-4-2-5-9-15)19(20)18(13-14)16-10-6-3-7-11-16;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;11-8-5-1-3-7-4-2-6-10-9(7)8;1-6-4-3-5-7(10-2)8(6)9;1-3(2,8)4(5,6)7;1-4(2,3)5;;;/h2-13,20H,1H3;1-13,19H;3*5-9H,1-4H3;3*1,4-8H,2-3H3;1-6,11H;3-5,9H,1-2H3;8H,1-2H3;5H,1-3H3
• InChIKey: XNADCFYGDQTBBH-UHFFFAOYSA-N
• XLogP: 35.34
• TPSA: 180.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2202.45
LogP ≤ 5	35.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol?

The IUPAC name of 2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol (CID 161075571) is 2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol.

What is the SMILES notation for 2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol?

The canonical SMILES for 2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol is CC(C)(C)O.CC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo]=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.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1cccc2cccnc12.

What is the InChIKey of 2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol?

The InChIKey is XNADCFYGDQTBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O.C18H14O.3C12H17N.3C10H12.C9H7NO.C8H10O2.C4H7F3O.C4H10O.3Mo/c1-14-12-17(15-8-4-2-5-9-15)19(20)18(13-14)16-10-6-3-7-11-16;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;11-8-5-1-3-7-4-2-6-10-9(7)8;1-6-4-3-5-7(10-2)8(6)9;1-3(2,8)4(5,6)7;1-4(2,3)5;;;/h2-13,20H,1H3;1-13,19H;3*5-9H,1-4H3;3*1,4-8H,2-3H3;1-6,11H;3-5,9H,1-2H3;8H,1-2H3;5H,1-3H3;;;.

What are the key properties of 2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol?

2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 2202.45 g/mol, XLogP of 35.34, 20 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 161075571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).