1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(2,4,6-trimethylphenyl)methanol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol

C143H156Cl6MoN8O4W3-4 — CID 158040412

IUPAC1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(2,4,6-trimethylphenyl)methanol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol
SMILESCC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.Cc1cc(C)c(C(O)c2c(C)cc(C)cc2C)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC1(c2ccccc2)c2ccccc2-c2ccccc21.Oc1c(-c2ccccc2)cccc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C19H14O.C19H16O.C19H24O.C18H14O.C10H15N.3C6H3Cl2N.2C6H8N.4C5H10.2C4H4N.Mo.3W/c20-19(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;1-11-7-13(3)17(14(4)8-11)19(20)18-15(5)9-12(2)10-16(18)6;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;11-10-4-7-1-8(5-10)3-9(2-7)6-10;3*7-4-2-1-3-5(8)6(4)9;2*1-5-3-4-6(2)7-5;4*1-5(2,3)4;2*1-2-4-5-3-1;;;;/h1-13,20H;1-15,20H;7-10,19-20H,1-6H3;1-13,19H;7-9H,1-6H2;3*1-3H;2*3-4H,1-2H3;4*1H,2-4H3;2*1-4H;;;;/q;;;;;;;;2*-1;;;;;2*-1;;;;
InChIKeyGARXNUPWHDWIMM-UHFFFAOYSA-N
MW2911.05 g/mol
LogP39.36
Rot. Bonds12

About 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(2,4,6-trimethylphenyl)methanol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol

1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(2,4,6-trimethylphenyl)methanol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol (PubChem CID 158040412) has the molecular formula C143H156Cl6MoN8O4W3-4 and a molecular weight of 2911.05 g/mol. Its IUPAC name is 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(2,4,6-trimethylphenyl)methanol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol.

Molecular Properties

Compound Name1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(2,4,6-trimethylphenyl)methanol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol
PubChem CID158040412
Molecular FormulaC143H156Cl6MoN8O4W3-4
Molecular Weight2911.05 g/mol
Exact Mass2908.80
IUPAC Name1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(2,4,6-trimethylphenyl)methanol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol
SMILESCC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.Cc1cc(C)c(C(O)c2c(C)cc(C)cc2C)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC1(c2ccccc2)c2ccccc2-c2ccccc21.Oc1c(-c2ccccc2)cccc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C19H14O.C19H16O.C19H24O.C18H14O.C10H15N.3C6H3Cl2N.2C6H8N.4C5H10.2C4H4N.Mo.3W/c20-19(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;1-11-7-13(3)17(14(4)8-11)19(20)18-15(5)9-12(2)10-16(18)6;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;11-10-4-7-1-8(5-10)3-9(2-7)6-10;3*7-4-2-1-3-5(8)6(4)9;2*1-5-3-4-6(2)7-5;4*1-5(2,3)4;2*1-2-4-5-3-1;;;;/h1-13,20H;1-15,20H;7-10,19-20H,1-6H3;1-13,19H;7-9H,1-6H2;3*1-3H;2*3-4H,1-2H3;4*1H,2-4H3;2*1-4H;;;;/q;;;;;;;;2*-1;;;;;2*-1;;;;
InChIKeyGARXNUPWHDWIMM-UHFFFAOYSA-N
XLogP39.36
TPSA186.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002911.05
LogP ≤ 539.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(2,4,6-trimethylphenyl)methanol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol?
The IUPAC name of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(2,4,6-trimethylphenyl)methanol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol (CID 158040412) is 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(2,4,6-trimethylphenyl)methanol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol.
What is the SMILES notation for 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(2,4,6-trimethylphenyl)methanol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol?
The canonical SMILES for 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(2,4,6-trimethylphenyl)methanol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol is CC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.Cc1cc(C)c(C(O)c2c(C)cc(C)cc2C)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC1(c2ccccc2)c2ccccc2-c2ccccc21.Oc1c(-c2ccccc2)cccc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.
What is the InChIKey of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(2,4,6-trimethylphenyl)methanol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol?
The InChIKey is GARXNUPWHDWIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O.C19H16O.C19H24O.C18H14O.C10H15N.3C6H3Cl2N.2C6H8N.4C5H10.2C4H4N.Mo.3W/c20-19(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;1-11-7-13(3)17(14(4)8-11)19(20)18-15(5)9-12(2)10-16(18)6;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;11-10-4-7-1-8(5-10)3-9(2-7)6-10;3*7-4-2-1-3-5(8)6(4)9;2*1-5-3-4-6(2)7-5;4*1-5(2,3)4;2*1-2-4-5-3-1;;;;/h1-13,20H;1-15,20H;7-10,19-20H,1-6H3;1-13,19H;7-9H,1-6H2;3*1-3H;2*3-4H,1-2H3;4*1H,2-4H3;2*1-4H;;;;/q;;;;;;;;2*-1;;;;;2*-1;;;;.
What are the key properties of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(2,4,6-trimethylphenyl)methanol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol?
1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(2,4,6-trimethylphenyl)methanol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol has a molecular weight of 2911.05 g/mol, XLogP of 39.36, 12 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;bis(2,4,6-trimethylphenyl)methanol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol is sourced from PubChem (CID 158040412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).