1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(4-methyl-2,6-diphenylphenol);bis(9-phenylfluoren-9-ol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol

C274H318F15Mo7N11O10-4 — CID 158229107

IUPAC1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(4-methyl-2,6-diphenylphenol);bis(9-phenylfluoren-9-ol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol
SMILESCC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.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.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C24H18O.2C19H14O.2C19H16O.4C12H17N.C10H15N.5C9H9F3O.2C8H9N.2C6H8N.7C5H10.2C4H4N.7Mo/c25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;2*20-19(14-8-2-1-3-9-14)17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;2*1-14-12-17(15-8-4-2-5-9-15)19(20)18(13-14)16-10-6-3-7-11-16;4*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;5*1-8(13,9(10,11)12)7-5-3-2-4-6-7;2*1-6-4-3-5-7(2)8(6)9;2*1-5-3-4-6(2)7-5;7*1-5(2,3)4;2*1-2-4-5-3-1;;;;;;;/h1-17,25H;2*1-13,20H;2*2-13,20H,1H3;4*5-9H,1-4H3;7-9H,1-6H2;5*2-6,13H,1H3;2*3-5H,1-2H3;2*3-4H,1-2H3;7*1H,2-4H3;2*1-4H;;;;;;;/q;;;;;;;;;;;;;;;;;2*-1;;;;;;;;2*-1;;;;;;;
InChIKeyKISRVAQSLCEVQX-UHFFFAOYSA-N
MW4882.17 g/mol
LogP75.34
Rot. Bonds29

About 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(4-methyl-2,6-diphenylphenol);bis(9-phenylfluoren-9-ol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol

1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(4-methyl-2,6-diphenylphenol);bis(9-phenylfluoren-9-ol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol (PubChem CID 158229107) has the molecular formula C274H318F15Mo7N11O10-4 and a molecular weight of 4882.17 g/mol. Its IUPAC name is 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(4-methyl-2,6-diphenylphenol);bis(9-phenylfluoren-9-ol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol.

Molecular Properties

Compound Name1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(4-methyl-2,6-diphenylphenol);bis(9-phenylfluoren-9-ol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol
PubChem CID158229107
Molecular FormulaC274H318F15Mo7N11O10-4
Molecular Weight4882.17 g/mol
Exact Mass4892.79
IUPAC Name1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(4-methyl-2,6-diphenylphenol);bis(9-phenylfluoren-9-ol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol
SMILESCC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.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.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C24H18O.2C19H14O.2C19H16O.4C12H17N.C10H15N.5C9H9F3O.2C8H9N.2C6H8N.7C5H10.2C4H4N.7Mo/c25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;2*20-19(14-8-2-1-3-9-14)17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;2*1-14-12-17(15-8-4-2-5-9-15)19(20)18(13-14)16-10-6-3-7-11-16;4*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;5*1-8(13,9(10,11)12)7-5-3-2-4-6-7;2*1-6-4-3-5-7(2)8(6)9;2*1-5-3-4-6(2)7-5;7*1-5(2,3)4;2*1-2-4-5-3-1;;;;;;;/h1-17,25H;2*1-13,20H;2*2-13,20H,1H3;4*5-9H,1-4H3;7-9H,1-6H2;5*2-6,13H,1H3;2*3-5H,1-2H3;2*3-4H,1-2H3;7*1H,2-4H3;2*1-4H;;;;;;;/q;;;;;;;;;;;;;;;;;2*-1;;;;;;;;2*-1;;;;;;;
InChIKeyKISRVAQSLCEVQX-UHFFFAOYSA-N
XLogP75.34
TPSA345.22 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds29
Heavy Atoms317
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004882.17
LogP ≤ 575.34
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Analyze 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(4-methyl-2,6-diphenylphenol);bis(9-phenylfluoren-9-ol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(4-methyl-2,6-diphenylphenol);bis(9-phenylfluoren-9-ol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol?
The IUPAC name of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(4-methyl-2,6-diphenylphenol);bis(9-phenylfluoren-9-ol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol (CID 158229107) is 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(4-methyl-2,6-diphenylphenol);bis(9-phenylfluoren-9-ol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol.
What is the SMILES notation for 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(4-methyl-2,6-diphenylphenol);bis(9-phenylfluoren-9-ol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol?
The canonical SMILES for 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(4-methyl-2,6-diphenylphenol);bis(9-phenylfluoren-9-ol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol is CC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.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.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.
What is the InChIKey of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(4-methyl-2,6-diphenylphenol);bis(9-phenylfluoren-9-ol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol?
The InChIKey is KISRVAQSLCEVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O.2C19H14O.2C19H16O.4C12H17N.C10H15N.5C9H9F3O.2C8H9N.2C6H8N.7C5H10.2C4H4N.7Mo/c25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;2*20-19(14-8-2-1-3-9-14)17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;2*1-14-12-17(15-8-4-2-5-9-15)19(20)18(13-14)16-10-6-3-7-11-16;4*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;5*1-8(13,9(10,11)12)7-5-3-2-4-6-7;2*1-6-4-3-5-7(2)8(6)9;2*1-5-3-4-6(2)7-5;7*1-5(2,3)4;2*1-2-4-5-3-1;;;;;;;/h1-17,25H;2*1-13,20H;2*2-13,20H,1H3;4*5-9H,1-4H3;7-9H,1-6H2;5*2-6,13H,1H3;2*3-5H,1-2H3;2*3-4H,1-2H3;7*1H,2-4H3;2*1-4H;;;;;;;/q;;;;;;;;;;;;;;;;;2*-1;;;;;;;;2*-1;;;;;;;.
What are the key properties of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(4-methyl-2,6-diphenylphenol);bis(9-phenylfluoren-9-ol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol?
1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(4-methyl-2,6-diphenylphenol);bis(9-phenylfluoren-9-ol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol has a molecular weight of 4882.17 g/mol, XLogP of 75.34, 29 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(4-methyl-2,6-diphenylphenol);bis(9-phenylfluoren-9-ol);bis(pyrrol-1-ide);pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol is sourced from PubChem (CID 158229107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).