benzene;bis(1-benzyl-3-methanidylindole);ethane;methane;4H-pyridin-4-ide;bis(yttrium)

C52H65N3Y2-4 — CID 159164342

IUPACbenzene;bis(1-benzyl-3-methanidylindole);ethane;methane;4H-pyridin-4-ide;bis(yttrium)
SMILESC.CC.CC.CC.CC.[CH2-]c1cn(Cc2ccccc2)c2ccccc12.[CH2-]c1cn(Cc2ccccc2)c2ccccc12.[Y].[Y].[c-]1ccccc1.[c-]1ccncc1
InChIInChI=1S/2C16H14N.C6H5.C5H4N.4C2H6.CH4.2Y/c2*1-13-11-17(12-14-7-3-2-4-8-14)16-10-6-5-9-15(13)16;2*1-2-4-6-5-3-1;4*1-2;;;/h2*2-11H,1,12H2;1-5H;2-5H;4*1-2H3;1H4;;/q4*-1;;;;;;;
InChIKeyFWPRSLHOFGBJQY-UHFFFAOYSA-N
MW909.93 g/mol
LogP14.85
Rot. Bonds4

About benzene;bis(1-benzyl-3-methanidylindole);ethane;methane;4H-pyridin-4-ide;bis(yttrium)

benzene;bis(1-benzyl-3-methanidylindole);ethane;methane;4H-pyridin-4-ide;bis(yttrium) (PubChem CID 159164342) has the molecular formula C52H65N3Y2-4 and a molecular weight of 909.93 g/mol. Its IUPAC name is benzene;bis(1-benzyl-3-methanidylindole);ethane;methane;4H-pyridin-4-ide;bis(yttrium).

Molecular Properties

Compound Namebenzene;bis(1-benzyl-3-methanidylindole);ethane;methane;4H-pyridin-4-ide;bis(yttrium)
PubChem CID159164342
Molecular FormulaC52H65N3Y2-4
Molecular Weight909.93 g/mol
Exact Mass909.33
IUPAC Namebenzene;bis(1-benzyl-3-methanidylindole);ethane;methane;4H-pyridin-4-ide;bis(yttrium)
SMILESC.CC.CC.CC.CC.[CH2-]c1cn(Cc2ccccc2)c2ccccc12.[CH2-]c1cn(Cc2ccccc2)c2ccccc12.[Y].[Y].[c-]1ccccc1.[c-]1ccncc1
InChIInChI=1S/2C16H14N.C6H5.C5H4N.4C2H6.CH4.2Y/c2*1-13-11-17(12-14-7-3-2-4-8-14)16-10-6-5-9-15(13)16;2*1-2-4-6-5-3-1;4*1-2;;;/h2*2-11H,1,12H2;1-5H;2-5H;4*1-2H3;1H4;;/q4*-1;;;;;;;
InChIKeyFWPRSLHOFGBJQY-UHFFFAOYSA-N
XLogP14.85
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.93
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
1-benzyl-3-methylindole;ethane
CID 145343697
1-benzyl-3-fluoropyrrolo[3,2-c]pyridine
CID 176809957
2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide
CID 10157671
5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one
CID 118724594
1-benzyl-3-(imidazol-1-ylmethyl)indole
CID 10062599
1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 78820157
1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole
CID 22019299
1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole
CID 10602364
1-benzyl-3-phenylselanylindole
CID 101452590
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid
CID 45275194

Frequently Asked Questions

What is the IUPAC name of benzene;bis(1-benzyl-3-methanidylindole);ethane;methane;4H-pyridin-4-ide;bis(yttrium)?
The IUPAC name of benzene;bis(1-benzyl-3-methanidylindole);ethane;methane;4H-pyridin-4-ide;bis(yttrium) (CID 159164342) is benzene;bis(1-benzyl-3-methanidylindole);ethane;methane;4H-pyridin-4-ide;bis(yttrium).
What is the SMILES notation for benzene;bis(1-benzyl-3-methanidylindole);ethane;methane;4H-pyridin-4-ide;bis(yttrium)?
The canonical SMILES for benzene;bis(1-benzyl-3-methanidylindole);ethane;methane;4H-pyridin-4-ide;bis(yttrium) is C.CC.CC.CC.CC.[CH2-]c1cn(Cc2ccccc2)c2ccccc12.[CH2-]c1cn(Cc2ccccc2)c2ccccc12.[Y].[Y].[c-]1ccccc1.[c-]1ccncc1.
What is the InChIKey of benzene;bis(1-benzyl-3-methanidylindole);ethane;methane;4H-pyridin-4-ide;bis(yttrium)?
The InChIKey is FWPRSLHOFGBJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14N.C6H5.C5H4N.4C2H6.CH4.2Y/c2*1-13-11-17(12-14-7-3-2-4-8-14)16-10-6-5-9-15(13)16;2*1-2-4-6-5-3-1;4*1-2;;;/h2*2-11H,1,12H2;1-5H;2-5H;4*1-2H3;1H4;;/q4*-1;;;;;;;.
What are the key properties of benzene;bis(1-benzyl-3-methanidylindole);ethane;methane;4H-pyridin-4-ide;bis(yttrium)?
benzene;bis(1-benzyl-3-methanidylindole);ethane;methane;4H-pyridin-4-ide;bis(yttrium) has a molecular weight of 909.93 g/mol, XLogP of 14.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(1-benzyl-3-methanidylindole);ethane;methane;4H-pyridin-4-ide;bis(yttrium) is sourced from PubChem (CID 159164342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).