tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-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

C154H186Br2F3Mo3N5O4-2 — CID 158114437

IUPACtris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-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
SMILESCC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.Cc1cc(C)c(-c2cc3c(c(-c4c(O)c(-c5c(C)cc(C)cc5C)cc5c4CCCC5)c2C)CCCC3)c(C)c1.Cc1cc2c(c(-c3c(C)c(C(F)(F)F)cc4c3CCCC4)c1O)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2
InChIInChI=1S/C39H44O.C23H25F3O.C20H20Br2O2.3C10H15N.3C10H12.2C6H8N.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;1-13-11-15-7-3-6-10-18(15)21(22(13)27)20-14(2)19(23(24,25)26)12-16-8-4-5-9-17(16)20;21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24;3*11-10-4-7-1-8(5-10)3-9(2-7)6-10;3*1-10(2,3)9-7-5-4-6-8-9;2*1-5-3-4-6(2)7-5;;;/h16-21,40H,8-15H2,1-7H3;11-12,27H,3-10H2,1-2H3;9-10,23-24H,1-8H2;3*7-9H,1-6H2;3*1,4-8H,2-3H3;2*3-4H,1-2H3;;;/q;;;;;;;;;2*-1;;;
InChIKeyQVJULXTZESWICE-UHFFFAOYSA-N
MW2675.83 g/mol
LogP40.33
Rot. Bonds14

About tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-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

tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-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 (PubChem CID 158114437) has the molecular formula C154H186Br2F3Mo3N5O4-2 and a molecular weight of 2675.83 g/mol. Its IUPAC name is tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-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.

Molecular Properties

Compound Nametris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-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
PubChem CID158114437
Molecular FormulaC154H186Br2F3Mo3N5O4-2
Molecular Weight2675.83 g/mol
Exact Mass2678.00
IUPAC Nametris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-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
SMILESCC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.Cc1cc(C)c(-c2cc3c(c(-c4c(O)c(-c5c(C)cc(C)cc5C)cc5c4CCCC5)c2C)CCCC3)c(C)c1.Cc1cc2c(c(-c3c(C)c(C(F)(F)F)cc4c3CCCC4)c1O)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2
InChIInChI=1S/C39H44O.C23H25F3O.C20H20Br2O2.3C10H15N.3C10H12.2C6H8N.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;1-13-11-15-7-3-6-10-18(15)21(22(13)27)20-14(2)19(23(24,25)26)12-16-8-4-5-9-17(16)20;21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24;3*11-10-4-7-1-8(5-10)3-9(2-7)6-10;3*1-10(2,3)9-7-5-4-6-8-9;2*1-5-3-4-6(2)7-5;;;/h16-21,40H,8-15H2,1-7H3;11-12,27H,3-10H2,1-2H3;9-10,23-24H,1-8H2;3*7-9H,1-6H2;3*1,4-8H,2-3H3;2*3-4H,1-2H3;;;/q;;;;;;;;;2*-1;;;
InChIKeyQVJULXTZESWICE-UHFFFAOYSA-N
XLogP40.33
TPSA146.20 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002675.83
LogP ≤ 540.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-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?
The IUPAC name of tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-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 (CID 158114437) is tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-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.
What is the SMILES notation for tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-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?
The canonical SMILES for tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-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 is CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.Cc1cc(C)c(-c2cc3c(c(-c4c(O)c(-c5c(C)cc(C)cc5C)cc5c4CCCC5)c2C)CCCC3)c(C)c1.Cc1cc2c(c(-c3c(C)c(C(F)(F)F)cc4c3CCCC4)c1O)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.
What is the InChIKey of tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-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?
The InChIKey is QVJULXTZESWICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44O.C23H25F3O.C20H20Br2O2.3C10H15N.3C10H12.2C6H8N.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;1-13-11-15-7-3-6-10-18(15)21(22(13)27)20-14(2)19(23(24,25)26)12-16-8-4-5-9-17(16)20;21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24;3*11-10-4-7-1-8(5-10)3-9(2-7)6-10;3*1-10(2,3)9-7-5-4-6-8-9;2*1-5-3-4-6(2)7-5;;;/h16-21,40H,8-15H2,1-7H3;11-12,27H,3-10H2,1-2H3;9-10,23-24H,1-8H2;3*7-9H,1-6H2;3*1,4-8H,2-3H3;2*3-4H,1-2H3;;;/q;;;;;;;;;2*-1;;;.
What are the key properties of tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-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?
tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-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 has a molecular weight of 2675.83 g/mol, XLogP of 40.33, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-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 is sourced from PubChem (CID 158114437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).