carbanide;ethane;1H-indole;1-indol-1-id-3-ylpropan-1-one;methane;2,2,2-trifluoro-1-indol-1-id-3-ylethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;tris(yttrium)

C51H67F6N4O3Y3-3 — CID 161110264

IUPACcarbanide;ethane;1H-indole;1-indol-1-id-3-ylpropan-1-one;methane;2,2,2-trifluoro-1-indol-1-id-3-ylethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;tris(yttrium)
SMILESC.C.C.CC.CC.CC.CC.CCC(=O)c1c[n-]c2ccccc12.O=C(c1c[n-]c2ccccc12)C(F)(F)F.O=C(c1c[nH]c2ccccc12)C(F)(F)F.[CH3-].[Y].[Y].[Y].c1ccc2[nH]ccc2c1
InChIInChI=1S/C11H11NO.2C10H6F3NO.C8H7N.4C2H6.3CH4.CH3.3Y/c1-2-11(13)9-7-12-10-6-4-3-5-8(9)10;2*11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8;1-2-4-8-7(3-1)5-6-9-8;4*1-2;;;;;;;/h3-7H,2H2,1H3,(H,12,13);1-5H,(H,14,15);1-5,14H;1-6,9H;4*1-2H3;3*1H4;1H3;;;/q;;;;;;;;;;;-1;;;/p-2
InChIKeyZTFSVLHZQCMHTK-UHFFFAOYSA-L
MW1164.83 g/mol
LogP16.47
Rot. Bonds4

About carbanide;ethane;1H-indole;1-indol-1-id-3-ylpropan-1-one;methane;2,2,2-trifluoro-1-indol-1-id-3-ylethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;tris(yttrium)

carbanide;ethane;1H-indole;1-indol-1-id-3-ylpropan-1-one;methane;2,2,2-trifluoro-1-indol-1-id-3-ylethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;tris(yttrium) (PubChem CID 161110264) has the molecular formula C51H67F6N4O3Y3-3 and a molecular weight of 1164.83 g/mol. Its IUPAC name is carbanide;ethane;1H-indole;1-indol-1-id-3-ylpropan-1-one;methane;2,2,2-trifluoro-1-indol-1-id-3-ylethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;tris(yttrium).

Molecular Properties

Compound Namecarbanide;ethane;1H-indole;1-indol-1-id-3-ylpropan-1-one;methane;2,2,2-trifluoro-1-indol-1-id-3-ylethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;tris(yttrium)
PubChem CID161110264
Molecular FormulaC51H67F6N4O3Y3-3
Molecular Weight1164.83 g/mol
Exact Mass1164.23
IUPAC Namecarbanide;ethane;1H-indole;1-indol-1-id-3-ylpropan-1-one;methane;2,2,2-trifluoro-1-indol-1-id-3-ylethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;tris(yttrium)
SMILESC.C.C.CC.CC.CC.CC.CCC(=O)c1c[n-]c2ccccc12.O=C(c1c[n-]c2ccccc12)C(F)(F)F.O=C(c1c[nH]c2ccccc12)C(F)(F)F.[CH3-].[Y].[Y].[Y].c1ccc2[nH]ccc2c1
InChIInChI=1S/C11H11NO.2C10H6F3NO.C8H7N.4C2H6.3CH4.CH3.3Y/c1-2-11(13)9-7-12-10-6-4-3-5-8(9)10;2*11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8;1-2-4-8-7(3-1)5-6-9-8;4*1-2;;;;;;;/h3-7H,2H2,1H3,(H,12,13);1-5H,(H,14,15);1-5,14H;1-6,9H;4*1-2H3;3*1H4;1H3;;;/q;;;;;;;;;;;-1;;;/p-2
InChIKeyZTFSVLHZQCMHTK-UHFFFAOYSA-L
XLogP16.47
TPSA110.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001164.83
LogP ≤ 516.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze carbanide;ethane;1H-indole;1-indol-1-id-3-ylpropan-1-one;methane;2,2,2-trifluoro-1-indol-1-id-3-ylethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;tris(yttrium) with MolForge

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Related Compounds

Di(1H-indol-3-yl)methanone
CID 12380289
1,2-bis(1H-indol-3-yl)ethane-1,2-dione
CID 636743
2-(3-Acetyl-indol-1-yl)-N-[2-(1H-indol-3-yl)-ethyl]-acetamide
CID 1095440
(5-methyl-1H-indol-3-yl)(2-(quinolin-6-ylmethylamino)phenyl)methanone
CID 44577838
(7-methyl-1H-indol-3-yl)(2-(quinolin-6-ylmethylamino)phenyl)methanone
CID 44577841
(5-fluoro-1H-indol-3-yl)(2-(quinolin-6-ylmethylamino)phenyl)methanone
CID 44577940
(6-fluoro-1H-indol-3-yl)(2-(quinolin-6-ylmethylamino)phenyl)methanone
CID 44577941
(2S)-1-(1-methylindole-3-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768776
(2S)-1-(1H-indole-3-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-indole-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768790
2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 5196982
Indoxyl Red
CID 136240962
2,2-Bis(3'-indolyl)indoxyl
CID 10021609

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;1H-indole;1-indol-1-id-3-ylpropan-1-one;methane;2,2,2-trifluoro-1-indol-1-id-3-ylethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;tris(yttrium)?
The IUPAC name of carbanide;ethane;1H-indole;1-indol-1-id-3-ylpropan-1-one;methane;2,2,2-trifluoro-1-indol-1-id-3-ylethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;tris(yttrium) (CID 161110264) is carbanide;ethane;1H-indole;1-indol-1-id-3-ylpropan-1-one;methane;2,2,2-trifluoro-1-indol-1-id-3-ylethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;tris(yttrium).
What is the SMILES notation for carbanide;ethane;1H-indole;1-indol-1-id-3-ylpropan-1-one;methane;2,2,2-trifluoro-1-indol-1-id-3-ylethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;tris(yttrium)?
The canonical SMILES for carbanide;ethane;1H-indole;1-indol-1-id-3-ylpropan-1-one;methane;2,2,2-trifluoro-1-indol-1-id-3-ylethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;tris(yttrium) is C.C.C.CC.CC.CC.CC.CCC(=O)c1c[n-]c2ccccc12.O=C(c1c[n-]c2ccccc12)C(F)(F)F.O=C(c1c[nH]c2ccccc12)C(F)(F)F.[CH3-].[Y].[Y].[Y].c1ccc2[nH]ccc2c1.
What is the InChIKey of carbanide;ethane;1H-indole;1-indol-1-id-3-ylpropan-1-one;methane;2,2,2-trifluoro-1-indol-1-id-3-ylethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;tris(yttrium)?
The InChIKey is ZTFSVLHZQCMHTK-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H11NO.2C10H6F3NO.C8H7N.4C2H6.3CH4.CH3.3Y/c1-2-11(13)9-7-12-10-6-4-3-5-8(9)10;2*11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8;1-2-4-8-7(3-1)5-6-9-8;4*1-2;;;;;;;/h3-7H,2H2,1H3,(H,12,13);1-5H,(H,14,15);1-5,14H;1-6,9H;4*1-2H3;3*1H4;1H3;;;/q;;;;;;;;;;;-1;;;/p-2.
What are the key properties of carbanide;ethane;1H-indole;1-indol-1-id-3-ylpropan-1-one;methane;2,2,2-trifluoro-1-indol-1-id-3-ylethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;tris(yttrium)?
carbanide;ethane;1H-indole;1-indol-1-id-3-ylpropan-1-one;methane;2,2,2-trifluoro-1-indol-1-id-3-ylethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;tris(yttrium) has a molecular weight of 1164.83 g/mol, XLogP of 16.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;1H-indole;1-indol-1-id-3-ylpropan-1-one;methane;2,2,2-trifluoro-1-indol-1-id-3-ylethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;tris(yttrium) is sourced from PubChem (CID 161110264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).