bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;triphenylmethanol

C154H166Cl4Mo2N8O4W2-4 — CID 158894648

IUPACbis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;triphenylmethanol
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.c1cc[n-]c1
InChIInChI=1S/3C19H14O.C19H16O.2C12H17N.2C6H3Cl2N.3C6H8N.4C5H10.C4H4N.2Mo.2W/c3*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;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;4*1-5(2,3)4;1-2-4-5-3-1;;;;/h3*1-13,20H;1-15,20H;2*5-9H,1-4H3;2*1-3H;3*3-4H,1-2H3;4*1H,2-4H3;1-4H;;;;/q;;;;;;;;3*-1;;;;;-1;;;;
InChIKeyYMAMUEFURMCUBV-UHFFFAOYSA-N
MW2894.45 g/mol
LogP41.09
Rot. Bonds14

About bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;triphenylmethanol

bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;triphenylmethanol (PubChem CID 158894648) has the molecular formula C154H166Cl4Mo2N8O4W2-4 and a molecular weight of 2894.45 g/mol. Its IUPAC name is bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;triphenylmethanol.

Molecular Properties

Compound Namebis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;triphenylmethanol
PubChem CID158894648
Molecular FormulaC154H166Cl4Mo2N8O4W2-4
Molecular Weight2894.45 g/mol
Exact Mass2894.89
IUPAC Namebis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;triphenylmethanol
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.c1cc[n-]c1
InChIInChI=1S/3C19H14O.C19H16O.2C12H17N.2C6H3Cl2N.3C6H8N.4C5H10.C4H4N.2Mo.2W/c3*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;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;4*1-5(2,3)4;1-2-4-5-3-1;;;;/h3*1-13,20H;1-15,20H;2*5-9H,1-4H3;2*1-3H;3*3-4H,1-2H3;4*1H,2-4H3;1-4H;;;;/q;;;;;;;;3*-1;;;;;-1;;;;
InChIKeyYMAMUEFURMCUBV-UHFFFAOYSA-N
XLogP41.09
TPSA186.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms174
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002894.45
LogP ≤ 541.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;triphenylmethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;triphenylmethanol?
The IUPAC name of bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;triphenylmethanol (CID 158894648) is bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;triphenylmethanol.
What is the SMILES notation for bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;triphenylmethanol?
The canonical SMILES for bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;triphenylmethanol is CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.OC1(c2ccccc2)c2ccccc2-c2ccccc21.c1cc[n-]c1.
What is the InChIKey of bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;triphenylmethanol?
The InChIKey is YMAMUEFURMCUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H14O.C19H16O.2C12H17N.2C6H3Cl2N.3C6H8N.4C5H10.C4H4N.2Mo.2W/c3*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;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;4*1-5(2,3)4;1-2-4-5-3-1;;;;/h3*1-13,20H;1-15,20H;2*5-9H,1-4H3;2*1-3H;3*3-4H,1-2H3;4*1H,2-4H3;1-4H;;;;/q;;;;;;;;3*-1;;;;;-1;;;;.
What are the key properties of bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;triphenylmethanol?
bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;triphenylmethanol has a molecular weight of 2894.45 g/mol, XLogP of 41.09, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);tris(9-phenylfluoren-9-ol);pyrrol-1-ide;triphenylmethanol is sourced from PubChem (CID 158894648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).