carbanide;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;4-methyl-2,3,5,6-tetraphenylphenol

C48H47NO2W-2 — CID 157188139

IUPACcarbanide;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;4-methyl-2,3,5,6-tetraphenylphenol
SMILESCC(C)(C=[W]=O)c1ccccc1.Cc1c(-c2ccccc2)c(-c2ccccc2)c(O)c(-c2ccccc2)c1-c1ccccc1.Cc1ccc(C)[n-]1.[CH3-]
InChIInChI=1S/C31H24O.C10H12.C6H8N.CH3.O.W/c1-22-27(23-14-6-2-7-15-23)29(25-18-10-4-11-19-25)31(32)30(26-20-12-5-13-21-26)28(22)24-16-8-3-9-17-24;1-10(2,3)9-7-5-4-6-8-9;1-5-3-4-6(2)7-5;;;/h2-21,32H,1H3;1,4-8H,2-3H3;3-4H,1-2H3;1H3;;/q;;2*-1;;
InChIKeyPEBJUBBTGKMFOR-UHFFFAOYSA-N
MW853.75 g/mol
LogP12.27
Rot. Bonds6

About carbanide;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;4-methyl-2,3,5,6-tetraphenylphenol

carbanide;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;4-methyl-2,3,5,6-tetraphenylphenol (PubChem CID 157188139) has the molecular formula C48H47NO2W-2 and a molecular weight of 853.75 g/mol. Its IUPAC name is carbanide;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;4-methyl-2,3,5,6-tetraphenylphenol.

Molecular Properties

Compound Namecarbanide;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;4-methyl-2,3,5,6-tetraphenylphenol
PubChem CID157188139
Molecular FormulaC48H47NO2W-2
Molecular Weight853.75 g/mol
Exact Mass853.31
IUPAC Namecarbanide;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;4-methyl-2,3,5,6-tetraphenylphenol
SMILESCC(C)(C=[W]=O)c1ccccc1.Cc1c(-c2ccccc2)c(-c2ccccc2)c(O)c(-c2ccccc2)c1-c1ccccc1.Cc1ccc(C)[n-]1.[CH3-]
InChIInChI=1S/C31H24O.C10H12.C6H8N.CH3.O.W/c1-22-27(23-14-6-2-7-15-23)29(25-18-10-4-11-19-25)31(32)30(26-20-12-5-13-21-26)28(22)24-16-8-3-9-17-24;1-10(2,3)9-7-5-4-6-8-9;1-5-3-4-6(2)7-5;;;/h2-21,32H,1H3;1,4-8H,2-3H3;3-4H,1-2H3;1H3;;/q;;2*-1;;
InChIKeyPEBJUBBTGKMFOR-UHFFFAOYSA-N
XLogP12.27
TPSA51.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.75
LogP ≤ 512.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

dimethyl(phenyl)phosphanium;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;2,3,5,6-tetraphenylphenol
CID 140786872
2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide
CID 153288388
3-methyl-2,4-diphenylnaphthalen-1-ol
CID 134947598
2-phenyl-6-(2-phenylpropan-2-yl)phenol
CID 20572334
2,5-dimethylpyrrol-1-ide;2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+)
CID 140656901
(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;tris(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);bis(pyrrol-1-ide)
CID 162076601
3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 158642618
4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol
CID 158101675
3,6-ditert-butyl-2-phenylphenol
CID 88520586
5-methyl-6-phenylbenzene-1,2,4-triol
CID 101299657
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide)
CID 165033731

Frequently Asked Questions

What is the IUPAC name of carbanide;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;4-methyl-2,3,5,6-tetraphenylphenol?
The IUPAC name of carbanide;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;4-methyl-2,3,5,6-tetraphenylphenol (CID 157188139) is carbanide;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;4-methyl-2,3,5,6-tetraphenylphenol.
What is the SMILES notation for carbanide;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;4-methyl-2,3,5,6-tetraphenylphenol?
The canonical SMILES for carbanide;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;4-methyl-2,3,5,6-tetraphenylphenol is CC(C)(C=[W]=O)c1ccccc1.Cc1c(-c2ccccc2)c(-c2ccccc2)c(O)c(-c2ccccc2)c1-c1ccccc1.Cc1ccc(C)[n-]1.[CH3-].
What is the InChIKey of carbanide;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;4-methyl-2,3,5,6-tetraphenylphenol?
The InChIKey is PEBJUBBTGKMFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24O.C10H12.C6H8N.CH3.O.W/c1-22-27(23-14-6-2-7-15-23)29(25-18-10-4-11-19-25)31(32)30(26-20-12-5-13-21-26)28(22)24-16-8-3-9-17-24;1-10(2,3)9-7-5-4-6-8-9;1-5-3-4-6(2)7-5;;;/h2-21,32H,1H3;1,4-8H,2-3H3;3-4H,1-2H3;1H3;;/q;;2*-1;;.
What are the key properties of carbanide;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;4-methyl-2,3,5,6-tetraphenylphenol?
carbanide;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;4-methyl-2,3,5,6-tetraphenylphenol has a molecular weight of 853.75 g/mol, XLogP of 12.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;4-methyl-2,3,5,6-tetraphenylphenol is sourced from PubChem (CID 157188139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).