1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;[2,6-di(propan-2-yl)phenyl]iminotungsten;propane;tris(pyrrol-1-ide)

C155H199Cl2MoN6O3W2-5 — CID 162036666

About 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;[2,6-di(propan-2-yl)phenyl]iminotungsten;propane;tris(pyrrol-1-ide)

1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;[2,6-di(propan-2-yl)phenyl]iminotungsten;propane;tris(pyrrol-1-ide) (PubChem CID 162036666) has the molecular formula C155H199Cl2MoN6O3W2-5 and a molecular weight of 2728.86 g/mol. Its IUPAC name is 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;[2,6-di(propan-2-yl)phenyl]iminotungsten;propane;tris(pyrrol-1-ide).

Molecular Properties

• Compound Name: 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;[2,6-di(propan-2-yl)phenyl]iminotungsten;propane;tris(pyrrol-1-ide)
• PubChem CID: 162036666
• Molecular Formula: C155H199Cl2MoN6O3W2-5
• Molecular Weight: 2728.86 g/mol
• Exact Mass: 2728.31
• IUPAC Name: 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;[2,6-di(propan-2-yl)phenyl]iminotungsten;propane;tris(pyrrol-1-ide)
• SMILES: CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.CC(C)c1cccc(C(C)C)c1N=[W].Cc1cc2ccccc2c(CCc2c(O)c(C)cc3ccccc23)c1C.[CH2-]C[CH2-].c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1
• InChI: InChI=1S/2C36H50O.C25H24O.C12H17N.C10H15N.C10H12.C6H3Cl2N.C5H10.3C4H4N.C3H6.Mo.2W/c2*1-20(2)26-16-30(22(5)6)34(31(17-26)23(7)8)28-14-13-15-29(36(28)37)35-32(24(9)10)18-27(21(3)4)19-33(35)25(11)12;1-16-14-19-8-4-6-10-22(19)21(18(16)3)12-13-24-23-11-7-5-9-20(23)15-17(2)25(24)26;1-8(2)10-6-5-7-11(9(3)4)12(10)13;11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-10(2,3)9-7-5-4-6-8-9;7-4-2-1-3-5(8)6(4)9;1-5(2,3)4;3*1-2-4-5-3-1;1-3-2;;;/h2*13-25,37H,1-12H3;4-11,14-15,26H,12-13H2,1-3H3;5-9H,1-4H3;7-9H,1-6H2;1,4-8H,2-3H3;1-3H;1H,2-4H3;3*1-4H;1-3H2;;;/q;;;;;;;;3*-1;-2
• InChIKey: ZQTKVVILPLQTLQ-UHFFFAOYSA-N
• XLogP: 46.35
• TPSA: 140.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 26
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2728.86
LogP ≤ 5	46.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;[2,6-di(propan-2-yl)phenyl]iminotungsten;propane;tris(pyrrol-1-ide)?

The IUPAC name of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;[2,6-di(propan-2-yl)phenyl]iminotungsten;propane;tris(pyrrol-1-ide) (CID 162036666) is 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;[2,6-di(propan-2-yl)phenyl]iminotungsten;propane;tris(pyrrol-1-ide).

What is the SMILES notation for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;[2,6-di(propan-2-yl)phenyl]iminotungsten;propane;tris(pyrrol-1-ide)?

The canonical SMILES for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;[2,6-di(propan-2-yl)phenyl]iminotungsten;propane;tris(pyrrol-1-ide) is CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.CC(C)c1cccc(C(C)C)c1N=[W].Cc1cc2ccccc2c(CCc2c(O)c(C)cc3ccccc23)c1C.[CH2-]C[CH2-].c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.

What is the InChIKey of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;[2,6-di(propan-2-yl)phenyl]iminotungsten;propane;tris(pyrrol-1-ide)?

The InChIKey is ZQTKVVILPLQTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H50O.C25H24O.C12H17N.C10H15N.C10H12.C6H3Cl2N.C5H10.3C4H4N.C3H6.Mo.2W/c2*1-20(2)26-16-30(22(5)6)34(31(17-26)23(7)8)28-14-13-15-29(36(28)37)35-32(24(9)10)18-27(21(3)4)19-33(35)25(11)12;1-16-14-19-8-4-6-10-22(19)21(18(16)3)12-13-24-23-11-7-5-9-20(23)15-17(2)25(24)26;1-8(2)10-6-5-7-11(9(3)4)12(10)13;11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-10(2,3)9-7-5-4-6-8-9;7-4-2-1-3-5(8)6(4)9;1-5(2,3)4;3*1-2-4-5-3-1;1-3-2;;;/h2*13-25,37H,1-12H3;4-11,14-15,26H,12-13H2,1-3H3;5-9H,1-4H3;7-9H,1-6H2;1,4-8H,2-3H3;1-3H;1H,2-4H3;3*1-4H;1-3H2;;;/q;;;;;;;;3*-1;-2;;;.

What are the key properties of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;[2,6-di(propan-2-yl)phenyl]iminotungsten;propane;tris(pyrrol-1-ide)?

1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;[2,6-di(propan-2-yl)phenyl]iminotungsten;propane;tris(pyrrol-1-ide) has a molecular weight of 2728.86 g/mol, XLogP of 46.35, 26 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;[2,6-di(propan-2-yl)phenyl]iminotungsten;propane;tris(pyrrol-1-ide) is sourced from PubChem (CID 162036666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).