1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylpyrrol-1-ide;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-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)

C184H224F3Mo4N7O6-2 — CID 157437996

About 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylpyrrol-1-ide;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-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)

1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylpyrrol-1-ide;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-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 157437996) has the molecular formula C184H224F3Mo4N7O6-2 and a molecular weight of 3070.61 g/mol. Its IUPAC name is 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylpyrrol-1-ide;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-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: 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylpyrrol-1-ide;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-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: 157437996
• Molecular Formula: C184H224F3Mo4N7O6-2
• Molecular Weight: 3070.61 g/mol
• Exact Mass: 3076.36
• IUPAC Name: 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylpyrrol-1-ide;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-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.Cc1cc(C)c(-c2cc3c(c(-c4c(O)c(-c5c(C)cc(C)cc5C)cc5c4CCCC5)c2O)CCCC3)c(C)c1.Cc1cc2c(c(-c3c(C)c(C(F)(F)F)cc4c3CCCC4)c1O)CCCC2.Cc1ccc(C)[cH-]1.Cc1ccc(C)[n-]1.Oc1cccc2cccnc12.Oc1cccc2cccnc12
• InChI: InChI=1S/C38H42O2.C23H25F3O.4C12H17N.4C10H12.2C9H7NO.C7H9.C6H8N.C4H10O.4Mo/c1-21-15-23(3)33(24(4)16-21)31-19-27-11-7-9-13-29(27)35(37(31)39)36-30-14-10-8-12-28(30)20-32(38(36)40)34-25(5)17-22(2)18-26(34)6;1-13-11-15-7-3-6-10-18(15)21(22(13)27)20-14(2)19(23(24,25)26)12-16-8-4-5-9-17(16)20;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;1-6-3-4-7(2)5-6;1-5-3-4-6(2)7-5;1-4(2,3)5;;;;/h15-20,39-40H,7-14H2,1-6H3;11-12,27H,3-10H2,1-2H3;4*5-9H,1-4H3;4*1,4-8H,2-3H3;2*1-6,11H;3-5H,1-2H3;3-4H,1-2H3;5H,1-3H3;;;;/q;;;;;;;;;;;;2*-1
• InChIKey: ZYAKXUNTHSTFJP-UHFFFAOYSA-N
• XLogP: 50.54
• TPSA: 210.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3070.61
LogP ≤ 5	50.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylpyrrol-1-ide;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-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 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylpyrrol-1-ide;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-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 157437996) is 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylpyrrol-1-ide;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-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 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylpyrrol-1-ide;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-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 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylpyrrol-1-ide;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-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.Cc1cc(C)c(-c2cc3c(c(-c4c(O)c(-c5c(C)cc(C)cc5C)cc5c4CCCC5)c2O)CCCC3)c(C)c1.Cc1cc2c(c(-c3c(C)c(C(F)(F)F)cc4c3CCCC4)c1O)CCCC2.Cc1ccc(C)[cH-]1.Cc1ccc(C)[n-]1.Oc1cccc2cccnc12.Oc1cccc2cccnc12.

What is the InChIKey of 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylpyrrol-1-ide;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-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 ZYAKXUNTHSTFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42O2.C23H25F3O.4C12H17N.4C10H12.2C9H7NO.C7H9.C6H8N.C4H10O.4Mo/c1-21-15-23(3)33(24(4)16-21)31-19-27-11-7-9-13-29(27)35(37(31)39)36-30-14-10-8-12-28(30)20-32(38(36)40)34-25(5)17-22(2)18-26(34)6;1-13-11-15-7-3-6-10-18(15)21(22(13)27)20-14(2)19(23(24,25)26)12-16-8-4-5-9-17(16)20;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;1-6-3-4-7(2)5-6;1-5-3-4-6(2)7-5;1-4(2,3)5;;;;/h15-20,39-40H,7-14H2,1-6H3;11-12,27H,3-10H2,1-2H3;4*5-9H,1-4H3;4*1,4-8H,2-3H3;2*1-6,11H;3-5H,1-2H3;3-4H,1-2H3;5H,1-3H3;;;;/q;;;;;;;;;;;;2*-1;;;;;.

What are the key properties of 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylpyrrol-1-ide;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-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)?

1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylpyrrol-1-ide;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-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 3070.61 g/mol, XLogP of 50.54, 24 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylpyrrol-1-ide;tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-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 157437996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).