bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2-methylpropan-2-ol;bis(quinolin-8-ol)

C166H205F3Mo4N8O6-2 — CID 158391682

About bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2-methylpropan-2-ol;bis(quinolin-8-ol)

bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2-methylpropan-2-ol;bis(quinolin-8-ol) (PubChem CID 158391682) has the molecular formula C166H205F3Mo4N8O6-2 and a molecular weight of 2849.27 g/mol. Its IUPAC name is bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2-methylpropan-2-ol;bis(quinolin-8-ol).

Molecular Properties

• Compound Name: bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2-methylpropan-2-ol;bis(quinolin-8-ol)
• PubChem CID: 158391682
• Molecular Formula: C166H205F3Mo4N8O6-2
• Molecular Weight: 2849.27 g/mol
• Exact Mass: 2855.22
• IUPAC Name: bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2-methylpropan-2-ol;bis(quinolin-8-ol)
• SMILES: CC(C)(C)O.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.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.Cc1cc2c(c(-c3c(C)c(C(F)(F)F)cc4c3CCCC4)c1O)CCCC2.Cc1cc2c(c(-c3c(O)ccc4c3CCCC4)c1O)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1cccc2cccnc12.Oc1cccc2cccnc12
• InChI: InChI=1S/C23H25F3O.C21H24O2.4C12H17N.4C10H12.2C9H7NO.2C6H8N.C4H10O.4Mo/c1-13-11-15-7-3-6-10-18(15)21(22(13)27)20-14(2)19(23(24,25)26)12-16-8-4-5-9-17(16)20;1-13-12-15-7-3-5-9-17(15)20(21(13)23)19-16-8-4-2-6-14(16)10-11-18(19)22;4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;4*1-10(2,3)9-7-5-4-6-8-9;2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-5-3-4-6(2)7-5;1-4(2,3)5;;;;/h11-12,27H,3-10H2,1-2H3;10-12,22-23H,2-9H2,1H3;4*5-9H,1-4H3;4*1,4-8H,2-3H3;2*1-6,11H;2*3-4H,1-2H3;5H,1-3H3;;;;/q;;;;;;;;;;;;2*-1
• InChIKey: RSUCKRCANLPHSO-UHFFFAOYSA-N
• XLogP: 44.91
• TPSA: 224.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2849.27
LogP ≤ 5	44.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2-methylpropan-2-ol;bis(quinolin-8-ol)?

The IUPAC name of bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2-methylpropan-2-ol;bis(quinolin-8-ol) (CID 158391682) is bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2-methylpropan-2-ol;bis(quinolin-8-ol).

What is the SMILES notation for bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2-methylpropan-2-ol;bis(quinolin-8-ol)?

The canonical SMILES for bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2-methylpropan-2-ol;bis(quinolin-8-ol) is CC(C)(C)O.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.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.Cc1cc2c(c(-c3c(C)c(C(F)(F)F)cc4c3CCCC4)c1O)CCCC2.Cc1cc2c(c(-c3c(O)ccc4c3CCCC4)c1O)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1cccc2cccnc12.Oc1cccc2cccnc12.

What is the InChIKey of bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2-methylpropan-2-ol;bis(quinolin-8-ol)?

The InChIKey is RSUCKRCANLPHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3O.C21H24O2.4C12H17N.4C10H12.2C9H7NO.2C6H8N.C4H10O.4Mo/c1-13-11-15-7-3-6-10-18(15)21(22(13)27)20-14(2)19(23(24,25)26)12-16-8-4-5-9-17(16)20;1-13-12-15-7-3-5-9-17(15)20(21(13)23)19-16-8-4-2-6-14(16)10-11-18(19)22;4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;4*1-10(2,3)9-7-5-4-6-8-9;2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-5-3-4-6(2)7-5;1-4(2,3)5;;;;/h11-12,27H,3-10H2,1-2H3;10-12,22-23H,2-9H2,1H3;4*5-9H,1-4H3;4*1,4-8H,2-3H3;2*1-6,11H;2*3-4H,1-2H3;5H,1-3H3;;;;/q;;;;;;;;;;;;2*-1;;;;;.

What are the key properties of bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2-methylpropan-2-ol;bis(quinolin-8-ol)?

bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2-methylpropan-2-ol;bis(quinolin-8-ol) has a molecular weight of 2849.27 g/mol, XLogP of 44.91, 22 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2-methylpropan-2-ol;bis(quinolin-8-ol) is sourced from PubChem (CID 158391682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).