bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(hydroxy(triphenyl)silane);9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol

C180H178Cl4MoN6O6Si4W3-2 — CID 158299483

IUPACbis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(hydroxy(triphenyl)silane);9-phenylfluoren-9-ol;bis(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=[W]=CC(C)(C)c1ccccc1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC1(c2ccccc2)c2ccccc2-c2ccccc21.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C19H14O.C19H16O.4C18H16OSi.C12H17N.2C10H12.C8H9N.2C6H3Cl2N.2C5H10.2C4H4N.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;4*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;2*7-4-2-1-3-5(8)6(4)9;2*1-5(2,3)4;2*1-2-4-5-3-1;;;;/h1-13,20H;1-15,20H;4*1-15,19H;5-9H,1-4H3;2*1,4-8H,2-3H3;3-5H,1-2H3;2*1-3H;2*1H,2-4H3;2*1-4H;;;;/q;;;;;;;;;;;;;;2*-1;;;;
InChIKeyXGMXXZFGRDZPMT-UHFFFAOYSA-N
MW3423.06 g/mol
LogP36.86
Rot. Bonds26

About bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(hydroxy(triphenyl)silane);9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol

bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(hydroxy(triphenyl)silane);9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol (PubChem CID 158299483) has the molecular formula C180H178Cl4MoN6O6Si4W3-2 and a molecular weight of 3423.06 g/mol. Its IUPAC name is bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(hydroxy(triphenyl)silane);9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol.

Molecular Properties

Compound Namebis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(hydroxy(triphenyl)silane);9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol
PubChem CID158299483
Molecular FormulaC180H178Cl4MoN6O6Si4W3-2
Molecular Weight3423.06 g/mol
Exact Mass3420.92
IUPAC Namebis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(hydroxy(triphenyl)silane);9-phenylfluoren-9-ol;bis(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=[W]=CC(C)(C)c1ccccc1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC1(c2ccccc2)c2ccccc2-c2ccccc21.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C19H14O.C19H16O.4C18H16OSi.C12H17N.2C10H12.C8H9N.2C6H3Cl2N.2C5H10.2C4H4N.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;4*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;2*7-4-2-1-3-5(8)6(4)9;2*1-5(2,3)4;2*1-2-4-5-3-1;;;;/h1-13,20H;1-15,20H;4*1-15,19H;5-9H,1-4H3;2*1,4-8H,2-3H3;3-5H,1-2H3;2*1-3H;2*1H,2-4H3;2*1-4H;;;;/q;;;;;;;;;;;;;;2*-1;;;;
InChIKeyXGMXXZFGRDZPMT-UHFFFAOYSA-N
XLogP36.86
TPSA199.02 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003423.06
LogP ≤ 536.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(hydroxy(triphenyl)silane);9-phenylfluoren-9-ol;bis(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);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(hydroxy(triphenyl)silane);9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol?
The IUPAC name of bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(hydroxy(triphenyl)silane);9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol (CID 158299483) is bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(hydroxy(triphenyl)silane);9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol.
What is the SMILES notation for bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(hydroxy(triphenyl)silane);9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol?
The canonical SMILES for bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(hydroxy(triphenyl)silane);9-phenylfluoren-9-ol;bis(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=[W]=CC(C)(C)c1ccccc1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC1(c2ccccc2)c2ccccc2-c2ccccc21.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.
What is the InChIKey of bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(hydroxy(triphenyl)silane);9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol?
The InChIKey is XGMXXZFGRDZPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O.C19H16O.4C18H16OSi.C12H17N.2C10H12.C8H9N.2C6H3Cl2N.2C5H10.2C4H4N.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;4*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;2*7-4-2-1-3-5(8)6(4)9;2*1-5(2,3)4;2*1-2-4-5-3-1;;;;/h1-13,20H;1-15,20H;4*1-15,19H;5-9H,1-4H3;2*1,4-8H,2-3H3;3-5H,1-2H3;2*1-3H;2*1H,2-4H3;2*1-4H;;;;/q;;;;;;;;;;;;;;2*-1;;;;.
What are the key properties of bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(hydroxy(triphenyl)silane);9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol?
bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(hydroxy(triphenyl)silane);9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol has a molecular weight of 3423.06 g/mol, XLogP of 36.86, 26 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(hydroxy(triphenyl)silane);9-phenylfluoren-9-ol;bis(pyrrol-1-ide);triphenylmethanol is sourced from PubChem (CID 158299483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).