Tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);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;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol

C₁₄₅H₁₈₅F₃Mo₃N₅O₅- — CID 158069919

About Tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);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;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol

Tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);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;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 158069919) has the molecular formula C₁₄₅H₁₈₅F₃Mo₃N₅O₅- and a molecular weight of 2422.92 g/mol. Its IUPAC name is tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);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;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: Tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);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;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol
• PubChem CID: 158069919
• Molecular Formula: C₁₄₅H₁₈₅F₃Mo₃N₅O₅-
• Molecular Weight: 2422.92 g/mol
• Exact Mass: 2427.15
• IUPAC Name: tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);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;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol
• SMILES: CC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.Cc1cc(C)c(-c2cc3c(c(-c4c(O)c(-c5c(C)cc(C)cc5C)cc5c4CCCC5)c2C)CCCC3)c(C)c1.Cc1cc(C)c(-c2cc3c(c(-c4c(O)c(-c5c(C)cc(C)cc5C)cc5c4CCCC5)c2O)CCCC3)c(C)c1.Oc1cccc2cccnc12.c1cc[n-]c1
• InChI: InChI=1S/C39H44O.C38H42O2.3C12H17N.C9H7NO.3C5H10.C4H7F3O.C4H4N.3Mo/c1-22-16-24(3)35(25(4)17-22)33-20-29-12-8-10-14-31(29)37(28(33)7)38-32-15-11-9-13-30(32)21-34(39(38)40)36-26(5)18-23(2)19-27(36)6;1-21-15-23(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;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;11-8-5-1-3-7-4-2-6-10-9(7)8;3*1-5(2,3)4;1-3(2,8)4(5,6)7;1-2-4-5-3-1;;;/h16-21,40H,8-15H2,1-7H3;15-20,39-40H,7-14H2,1-6H3;3*5-9H,1-4H3;1-6,11H;3*1H,2-4H3;8H,1-2H3;1-4H;;;/q;;;;;;;;;;-1
• InChIKey: LXELATSJIMWMFY-UHFFFAOYSA-N
• XLogP: 40.96
• TPSA: 165.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2422.92
LogP ≤ 5	40.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of Tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);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;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol?

The IUPAC name of Tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);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;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol (CID 158069919) is tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);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;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol.

What is the SMILES notation for Tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);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;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol?

The canonical SMILES for Tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);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;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol is CC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.Cc1cc(C)c(-c2cc3c(c(-c4c(O)c(-c5c(C)cc(C)cc5C)cc5c4CCCC5)c2C)CCCC3)c(C)c1.Cc1cc(C)c(-c2cc3c(c(-c4c(O)c(-c5c(C)cc(C)cc5C)cc5c4CCCC5)c2O)CCCC3)c(C)c1.Oc1cccc2cccnc12.c1cc[n-]c1.

What is the InChIKey of Tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);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;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol?

The InChIKey is LXELATSJIMWMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44O.C38H42O2.3C12H17N.C9H7NO.3C5H10.C4H7F3O.C4H4N.3Mo/c1-22-16-24(3)35(25(4)17-22)33-20-29-12-8-10-14-31(29)37(28(33)7)38-32-15-11-9-13-30(32)21-34(39(38)40)36-26(5)18-23(2)19-27(36)6;1-21-15-23(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;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;11-8-5-1-3-7-4-2-6-10-9(7)8;3*1-5(2,3)4;1-3(2,8)4(5,6)7;1-2-4-5-3-1;;;/h16-21,40H,8-15H2,1-7H3;15-20,39-40H,7-14H2,1-6H3;3*5-9H,1-4H3;1-6,11H;3*1H,2-4H3;8H,1-2H3;1-4H;;;/q;;;;;;;;;;-1;;;.

What are the key properties of Tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);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;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol?

Tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);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;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 2422.92 g/mol, XLogP of 40.96, 15 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for Tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);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;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 158069919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158069919 — identifiers, structure, computed properties (public domain)

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