1-adamantylimino(2,2-dimethylpropylidene)molybdenum;tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-chloro-1-[(3-chloro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;tetrakis(2,5-dimethylpyrrol-1-ide);1-[(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(3-iodo-1-[(3-iodo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol)

C189H237Cl2F3I4Mo4N8O4-4 — CID 158075394

About 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-chloro-1-[(3-chloro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;tetrakis(2,5-dimethylpyrrol-1-ide);1-[(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(3-iodo-1-[(3-iodo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol)

1-adamantylimino(2,2-dimethylpropylidene)molybdenum;tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-chloro-1-[(3-chloro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;tetrakis(2,5-dimethylpyrrol-1-ide);1-[(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(3-iodo-1-[(3-iodo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol) (PubChem CID 158075394) has the molecular formula C189H237Cl2F3I4Mo4N8O4-4 and a molecular weight of 3704.30 g/mol. Its IUPAC name is 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-chloro-1-[(3-chloro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;tetrakis(2,5-dimethylpyrrol-1-ide);1-[(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(3-iodo-1-[(3-iodo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol).

Molecular Properties

• Compound Name: 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-chloro-1-[(3-chloro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;tetrakis(2,5-dimethylpyrrol-1-ide);1-[(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(3-iodo-1-[(3-iodo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol)
• PubChem CID: 158075394
• Molecular Formula: C189H237Cl2F3I4Mo4N8O4-4
• Molecular Weight: 3704.30 g/mol
• Exact Mass: 3709.03
• IUPAC Name: 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-chloro-1-[(3-chloro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;tetrakis(2,5-dimethylpyrrol-1-ide);1-[(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(3-iodo-1-[(3-iodo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol)
• SMILES: CC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.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.Cc1c(Cl)cc2c(c1Cc1c(O)c(Cl)cc3c1CCCC3)CCCC2.Cc1c(I)cc2c(c1Cc1c(O)c(I)cc3c1CCCC3)CCCC2.Cc1c(I)cc2c(c1Cc1c(O)c(I)cc3c1CCCC3)CCCC2.Cc1cc2c(c(Cc3c(O)c(C(F)(F)F)cc4c3CCCC4)c1C)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1
• InChI: InChI=1S/C24H27F3O.C22H24Cl2O.2C22H24I2O.4C10H15N.3C10H12.4C6H8N.C5H10.4Mo/c1-14-11-16-7-3-5-9-18(16)20(15(14)2)13-21-19-10-6-4-8-17(19)12-22(23(21)28)24(25,26)27;3*1-13-18(16-8-4-2-6-14(16)10-20(13)23)12-19-17-9-5-3-7-15(17)11-21(24)22(19)25;4*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;4*1-5-3-4-6(2)7-5;1-5(2,3)4;;;;/h11-12,28H,3-10,13H2,1-2H3;3*10-11,25H,2-9,12H2,1H3;4*7-9H,1-6H2;3*1,4-8H,2-3H3;4*3-4H,1-2H3;1H,2-4H3;;;;/q;;;;;;;;;;;4*-1
• InChIKey: PJWPBBJCMPVJIO-UHFFFAOYSA-N
• XLogP: 49.36
• TPSA: 186.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3704.30
LogP ≤ 5	49.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-chloro-1-[(3-chloro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;tetrakis(2,5-dimethylpyrrol-1-ide);1-[(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(3-iodo-1-[(3-iodo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol)?

The IUPAC name of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-chloro-1-[(3-chloro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;tetrakis(2,5-dimethylpyrrol-1-ide);1-[(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(3-iodo-1-[(3-iodo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol) (CID 158075394) is 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-chloro-1-[(3-chloro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;tetrakis(2,5-dimethylpyrrol-1-ide);1-[(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(3-iodo-1-[(3-iodo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol).

What is the SMILES notation for 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-chloro-1-[(3-chloro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;tetrakis(2,5-dimethylpyrrol-1-ide);1-[(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(3-iodo-1-[(3-iodo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol)?

The canonical SMILES for 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-chloro-1-[(3-chloro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;tetrakis(2,5-dimethylpyrrol-1-ide);1-[(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(3-iodo-1-[(3-iodo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol) is CC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.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.Cc1c(Cl)cc2c(c1Cc1c(O)c(Cl)cc3c1CCCC3)CCCC2.Cc1c(I)cc2c(c1Cc1c(O)c(I)cc3c1CCCC3)CCCC2.Cc1c(I)cc2c(c1Cc1c(O)c(I)cc3c1CCCC3)CCCC2.Cc1cc2c(c(Cc3c(O)c(C(F)(F)F)cc4c3CCCC4)c1C)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.

What is the InChIKey of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-chloro-1-[(3-chloro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;tetrakis(2,5-dimethylpyrrol-1-ide);1-[(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(3-iodo-1-[(3-iodo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol)?

The InChIKey is PJWPBBJCMPVJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3O.C22H24Cl2O.2C22H24I2O.4C10H15N.3C10H12.4C6H8N.C5H10.4Mo/c1-14-11-16-7-3-5-9-18(16)20(15(14)2)13-21-19-10-6-4-8-17(19)12-22(23(21)28)24(25,26)27;3*1-13-18(16-8-4-2-6-14(16)10-20(13)23)12-19-17-9-5-3-7-15(17)11-21(24)22(19)25;4*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;4*1-5-3-4-6(2)7-5;1-5(2,3)4;;;;/h11-12,28H,3-10,13H2,1-2H3;3*10-11,25H,2-9,12H2,1H3;4*7-9H,1-6H2;3*1,4-8H,2-3H3;4*3-4H,1-2H3;1H,2-4H3;;;;/q;;;;;;;;;;;4*-1;;;;;.

What are the key properties of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-chloro-1-[(3-chloro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;tetrakis(2,5-dimethylpyrrol-1-ide);1-[(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(3-iodo-1-[(3-iodo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol)?

1-adamantylimino(2,2-dimethylpropylidene)molybdenum;tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-chloro-1-[(3-chloro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;tetrakis(2,5-dimethylpyrrol-1-ide);1-[(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(3-iodo-1-[(3-iodo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol) has a molecular weight of 3704.30 g/mol, XLogP of 49.36, 18 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;tris(1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum);3-chloro-1-[(3-chloro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;tetrakis(2,5-dimethylpyrrol-1-ide);1-[(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(3-iodo-1-[(3-iodo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol) is sourced from PubChem (CID 158075394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).