bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);tetrakis(hydroxy(triphenyl)silane);tris(9-phenylfluoren-9-ol);triphenylmethanol;2,4,6-triphenylphenol

C280H306Mo5N9O9Si4W-3 — CID 157262416

IUPACbis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);tetrakis(hydroxy(triphenyl)silane);tris(9-phenylfluoren-9-ol);triphenylmethanol;2,4,6-triphenylphenol
SMILESCC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.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=[W]=CC(C)(C)C.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C24H18O.3C19H14O.C19H16O.4C18H16OSi.2C12H17N.2C10H15N.2C8H9N.3C6H8N.6C5H10.5Mo.W/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;3*20-19(14-8-2-1-3-9-14)17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*11-10-4-7-1-8(5-10)3-9(2-7)6-10;2*1-6-4-3-5-7(2)8(6)9;3*1-5-3-4-6(2)7-5;6*1-5(2,3)4;;;;;;/h1-17,25H;3*1-13,20H;1-15,20H;4*1-15,19H;2*5-9H,1-4H3;2*7-9H,1-6H2;2*3-5H,1-2H3;3*3-4H,1-2H3;6*1H,2-4H3;;;;;;/q;;;;;;;;;;;;;;;3*-1;;;;;;;;;;;;
InChIKeyNITIILZOFKXORH-UHFFFAOYSA-N
MW4717.47 g/mol
LogP60.18
Rot. Bonds31

About bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);tetrakis(hydroxy(triphenyl)silane);tris(9-phenylfluoren-9-ol);triphenylmethanol;2,4,6-triphenylphenol

bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);tetrakis(hydroxy(triphenyl)silane);tris(9-phenylfluoren-9-ol);triphenylmethanol;2,4,6-triphenylphenol (PubChem CID 157262416) has the molecular formula C280H306Mo5N9O9Si4W-3 and a molecular weight of 4717.47 g/mol. Its IUPAC name is bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);tetrakis(hydroxy(triphenyl)silane);tris(9-phenylfluoren-9-ol);triphenylmethanol;2,4,6-triphenylphenol.

Molecular Properties

Compound Namebis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);tetrakis(hydroxy(triphenyl)silane);tris(9-phenylfluoren-9-ol);triphenylmethanol;2,4,6-triphenylphenol
PubChem CID157262416
Molecular FormulaC280H306Mo5N9O9Si4W-3
Molecular Weight4717.47 g/mol
Exact Mass4723.76
IUPAC Namebis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);tetrakis(hydroxy(triphenyl)silane);tris(9-phenylfluoren-9-ol);triphenylmethanol;2,4,6-triphenylphenol
SMILESCC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.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=[W]=CC(C)(C)C.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C24H18O.3C19H14O.C19H16O.4C18H16OSi.2C12H17N.2C10H15N.2C8H9N.3C6H8N.6C5H10.5Mo.W/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;3*20-19(14-8-2-1-3-9-14)17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*11-10-4-7-1-8(5-10)3-9(2-7)6-10;2*1-6-4-3-5-7(2)8(6)9;3*1-5-3-4-6(2)7-5;6*1-5(2,3)4;;;;;;/h1-17,25H;3*1-13,20H;1-15,20H;4*1-15,19H;2*5-9H,1-4H3;2*7-9H,1-6H2;2*3-5H,1-2H3;3*3-4H,1-2H3;6*1H,2-4H3;;;;;;/q;;;;;;;;;;;;;;;3*-1;;;;;;;;;;;;
InChIKeyNITIILZOFKXORH-UHFFFAOYSA-N
XLogP60.18
TPSA298.53 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds31
Heavy Atoms308
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004717.47
LogP ≤ 560.18
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);tetrakis(hydroxy(triphenyl)silane);tris(9-phenylfluoren-9-ol);triphenylmethanol;2,4,6-triphenylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);tetrakis(hydroxy(triphenyl)silane);tris(9-phenylfluoren-9-ol);triphenylmethanol;2,4,6-triphenylphenol?
The IUPAC name of bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);tetrakis(hydroxy(triphenyl)silane);tris(9-phenylfluoren-9-ol);triphenylmethanol;2,4,6-triphenylphenol (CID 157262416) is bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);tetrakis(hydroxy(triphenyl)silane);tris(9-phenylfluoren-9-ol);triphenylmethanol;2,4,6-triphenylphenol.
What is the SMILES notation for bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);tetrakis(hydroxy(triphenyl)silane);tris(9-phenylfluoren-9-ol);triphenylmethanol;2,4,6-triphenylphenol?
The canonical SMILES for bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);tetrakis(hydroxy(triphenyl)silane);tris(9-phenylfluoren-9-ol);triphenylmethanol;2,4,6-triphenylphenol is CC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.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=[W]=CC(C)(C)C.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);tetrakis(hydroxy(triphenyl)silane);tris(9-phenylfluoren-9-ol);triphenylmethanol;2,4,6-triphenylphenol?
The InChIKey is NITIILZOFKXORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O.3C19H14O.C19H16O.4C18H16OSi.2C12H17N.2C10H15N.2C8H9N.3C6H8N.6C5H10.5Mo.W/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;3*20-19(14-8-2-1-3-9-14)17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*11-10-4-7-1-8(5-10)3-9(2-7)6-10;2*1-6-4-3-5-7(2)8(6)9;3*1-5-3-4-6(2)7-5;6*1-5(2,3)4;;;;;;/h1-17,25H;3*1-13,20H;1-15,20H;4*1-15,19H;2*5-9H,1-4H3;2*7-9H,1-6H2;2*3-5H,1-2H3;3*3-4H,1-2H3;6*1H,2-4H3;;;;;;/q;;;;;;;;;;;;;;;3*-1;;;;;;;;;;;;.
What are the key properties of bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);tetrakis(hydroxy(triphenyl)silane);tris(9-phenylfluoren-9-ol);triphenylmethanol;2,4,6-triphenylphenol?
bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);tetrakis(hydroxy(triphenyl)silane);tris(9-phenylfluoren-9-ol);triphenylmethanol;2,4,6-triphenylphenol has a molecular weight of 4717.47 g/mol, XLogP of 60.18, 31 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);tetrakis(hydroxy(triphenyl)silane);tris(9-phenylfluoren-9-ol);triphenylmethanol;2,4,6-triphenylphenol is sourced from PubChem (CID 157262416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).