1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis((3,5-ditert-butyl-4-hydroxyphenyl)-triphenylphosphanium);tris(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis([4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium);pyrrol-1-ide

C256H294Mo3N8O4P4W — CID 161042015

IUPAC1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis((3,5-ditert-butyl-4-hydroxyphenyl)-triphenylphosphanium);tris(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis([4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium);pyrrol-1-ide
SMILESCC(C)(C)c1cc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.Cc1cc(C)c(-c2cc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1cc(C)c(-c2cc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.c1cc[n-]c1
InChIInChI=1S/2C42H39OP.2C32H35OP.3C12H17N.C10H15N.4C10H12.3C6H8N.C4H4N.3Mo.W/c2*1-28-22-30(3)40(31(4)23-28)38-26-37(27-39(42(38)43)41-32(5)24-29(2)25-33(41)6)44(34-16-10-7-11-17-34,35-18-12-8-13-19-35)36-20-14-9-15-21-36;2*1-31(2,3)28-22-27(23-29(30(28)33)32(4,5)6)34(24-16-10-7-11-17-24,25-18-12-8-13-19-25)26-20-14-9-15-21-26;3*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;4*1-10(2,3)9-7-5-4-6-8-9;3*1-5-3-4-6(2)7-5;1-2-4-5-3-1;;;;/h2*7-27H,1-6H3;2*7-23H,1-6H3;3*5-9H,1-4H3;7-9H,1-6H2;4*1,4-8H,2-3H3;3*3-4H,1-2H3;1-4H;;;;/q;;;;;;;;;;;;4*-1;;;;/p+4
InChIKeyASLRCGOVPTVYSR-UHFFFAOYSA-R
MW4142.78 g/mol
LogP60.87
Rot. Bonds38

About 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis((3,5-ditert-butyl-4-hydroxyphenyl)-triphenylphosphanium);tris(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis([4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium);pyrrol-1-ide

1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis((3,5-ditert-butyl-4-hydroxyphenyl)-triphenylphosphanium);tris(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis([4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium);pyrrol-1-ide (PubChem CID 161042015) has the molecular formula C256H294Mo3N8O4P4W and a molecular weight of 4142.78 g/mol. Its IUPAC name is 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis((3,5-ditert-butyl-4-hydroxyphenyl)-triphenylphosphanium);tris(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis([4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium);pyrrol-1-ide.

Molecular Properties

Compound Name1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis((3,5-ditert-butyl-4-hydroxyphenyl)-triphenylphosphanium);tris(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis([4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium);pyrrol-1-ide
PubChem CID161042015
Molecular FormulaC256H294Mo3N8O4P4W
Molecular Weight4142.78 g/mol
Exact Mass4145.87
IUPAC Name1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis((3,5-ditert-butyl-4-hydroxyphenyl)-triphenylphosphanium);tris(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis([4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium);pyrrol-1-ide
SMILESCC(C)(C)c1cc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.Cc1cc(C)c(-c2cc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1cc(C)c(-c2cc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.c1cc[n-]c1
InChIInChI=1S/2C42H39OP.2C32H35OP.3C12H17N.C10H15N.4C10H12.3C6H8N.C4H4N.3Mo.W/c2*1-28-22-30(3)40(31(4)23-28)38-26-37(27-39(42(38)43)41-32(5)24-29(2)25-33(41)6)44(34-16-10-7-11-17-34,35-18-12-8-13-19-35)36-20-14-9-15-21-36;2*1-31(2,3)28-22-27(23-29(30(28)33)32(4,5)6)34(24-16-10-7-11-17-24,25-18-12-8-13-19-25)26-20-14-9-15-21-26;3*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;4*1-10(2,3)9-7-5-4-6-8-9;3*1-5-3-4-6(2)7-5;1-2-4-5-3-1;;;;/h2*7-27H,1-6H3;2*7-23H,1-6H3;3*5-9H,1-4H3;7-9H,1-6H2;4*1,4-8H,2-3H3;3*3-4H,1-2H3;1-4H;;;;/q;;;;;;;;;;;;4*-1;;;;/p+4
InChIKeyASLRCGOVPTVYSR-UHFFFAOYSA-R
XLogP60.87
TPSA186.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds38
Heavy Atoms276
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004142.78
LogP ≤ 560.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis((3,5-ditert-butyl-4-hydroxyphenyl)-triphenylphosphanium);tris(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis([4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium);pyrrol-1-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis((3,5-ditert-butyl-4-hydroxyphenyl)-triphenylphosphanium);tris(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis([4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium);pyrrol-1-ide?
The IUPAC name of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis((3,5-ditert-butyl-4-hydroxyphenyl)-triphenylphosphanium);tris(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis([4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium);pyrrol-1-ide (CID 161042015) is 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis((3,5-ditert-butyl-4-hydroxyphenyl)-triphenylphosphanium);tris(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis([4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium);pyrrol-1-ide.
What is the SMILES notation for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis((3,5-ditert-butyl-4-hydroxyphenyl)-triphenylphosphanium);tris(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis([4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium);pyrrol-1-ide?
The canonical SMILES for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis((3,5-ditert-butyl-4-hydroxyphenyl)-triphenylphosphanium);tris(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis([4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium);pyrrol-1-ide is CC(C)(C)c1cc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.Cc1cc(C)c(-c2cc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1cc(C)c(-c2cc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.c1cc[n-]c1.
What is the InChIKey of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis((3,5-ditert-butyl-4-hydroxyphenyl)-triphenylphosphanium);tris(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis([4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium);pyrrol-1-ide?
The InChIKey is ASLRCGOVPTVYSR-UHFFFAOYSA-R. The full InChI is InChI=1S/2C42H39OP.2C32H35OP.3C12H17N.C10H15N.4C10H12.3C6H8N.C4H4N.3Mo.W/c2*1-28-22-30(3)40(31(4)23-28)38-26-37(27-39(42(38)43)41-32(5)24-29(2)25-33(41)6)44(34-16-10-7-11-17-34,35-18-12-8-13-19-35)36-20-14-9-15-21-36;2*1-31(2,3)28-22-27(23-29(30(28)33)32(4,5)6)34(24-16-10-7-11-17-24,25-18-12-8-13-19-25)26-20-14-9-15-21-26;3*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;4*1-10(2,3)9-7-5-4-6-8-9;3*1-5-3-4-6(2)7-5;1-2-4-5-3-1;;;;/h2*7-27H,1-6H3;2*7-23H,1-6H3;3*5-9H,1-4H3;7-9H,1-6H2;4*1,4-8H,2-3H3;3*3-4H,1-2H3;1-4H;;;;/q;;;;;;;;;;;;4*-1;;;;/p+4.
What are the key properties of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis((3,5-ditert-butyl-4-hydroxyphenyl)-triphenylphosphanium);tris(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis([4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium);pyrrol-1-ide?
1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis((3,5-ditert-butyl-4-hydroxyphenyl)-triphenylphosphanium);tris(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis([4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium);pyrrol-1-ide has a molecular weight of 4142.78 g/mol, XLogP of 60.87, 38 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis((3,5-ditert-butyl-4-hydroxyphenyl)-triphenylphosphanium);tris(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis([4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium);pyrrol-1-ide is sourced from PubChem (CID 161042015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).