3H-benzo[g]indole;2,6-dihydropyrrolo[2,3-e]benzimidazole;2,7-dihydropyrrolo[2,3-f]benzimidazole;ethene;2-ethenylcyclopenta-1,3-diene;3H-pyrrolo[3,2-c]isoquinoline;yttrium

C58H57N9Y-2 — CID 159305511

IUPAC3H-benzo[g]indole;2,6-dihydropyrrolo[2,3-e]benzimidazole;2,7-dihydropyrrolo[2,3-f]benzimidazole;ethene;2-ethenylcyclopenta-1,3-diene;3H-pyrrolo[3,2-c]isoquinoline;yttrium
SMILESC1=Nc2c(ccc3c2=NCN=3)C1.C1=Nc2c(ccc3ccccc23)C1.C1=Nc2c(ncc3ccccc23)C1.C1=Nc2cc3c(cc2C1)=NCN=3.C=C.C=C.C=C.C=C.C=C.[H]/[C-]=C/C1=[C-]CC=C1.[Y]
InChIInChI=1S/C12H9N.C11H8N2.2C9H7N3.C7H6.5C2H4.Y/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11;1-2-4-9-8(3-1)7-13-10-5-6-12-11(9)10;1-2-10-7-4-9-8(3-6(1)7)11-5-12-9;1-2-7-9(12-5-11-7)8-6(1)3-4-10-8;1-2-7-5-3-4-6-7;5*1-2;/h1-6,8H,7H2;1-4,6-7H,5H2;2-4H,1,5H2;1-2,4H,3,5H2;1-3,5H,4H2;5*1-2H2;/q;;;;-2;;;;;;
InChIKeyNNIDTLWUZOMHOK-UHFFFAOYSA-N
MW969.06 g/mol
LogP11.58
Rot. Bonds1

About 3H-benzo[g]indole;2,6-dihydropyrrolo[2,3-e]benzimidazole;2,7-dihydropyrrolo[2,3-f]benzimidazole;ethene;2-ethenylcyclopenta-1,3-diene;3H-pyrrolo[3,2-c]isoquinoline;yttrium

3H-benzo[g]indole;2,6-dihydropyrrolo[2,3-e]benzimidazole;2,7-dihydropyrrolo[2,3-f]benzimidazole;ethene;2-ethenylcyclopenta-1,3-diene;3H-pyrrolo[3,2-c]isoquinoline;yttrium (PubChem CID 159305511) has the molecular formula C58H57N9Y-2 and a molecular weight of 969.06 g/mol. Its IUPAC name is 3H-benzo[g]indole;2,6-dihydropyrrolo[2,3-e]benzimidazole;2,7-dihydropyrrolo[2,3-f]benzimidazole;ethene;2-ethenylcyclopenta-1,3-diene;3H-pyrrolo[3,2-c]isoquinoline;yttrium.

Molecular Properties

Compound Name3H-benzo[g]indole;2,6-dihydropyrrolo[2,3-e]benzimidazole;2,7-dihydropyrrolo[2,3-f]benzimidazole;ethene;2-ethenylcyclopenta-1,3-diene;3H-pyrrolo[3,2-c]isoquinoline;yttrium
PubChem CID159305511
Molecular FormulaC58H57N9Y-2
Molecular Weight969.06 g/mol
Exact Mass968.38
IUPAC Name3H-benzo[g]indole;2,6-dihydropyrrolo[2,3-e]benzimidazole;2,7-dihydropyrrolo[2,3-f]benzimidazole;ethene;2-ethenylcyclopenta-1,3-diene;3H-pyrrolo[3,2-c]isoquinoline;yttrium
SMILESC1=Nc2c(ccc3c2=NCN=3)C1.C1=Nc2c(ccc3ccccc23)C1.C1=Nc2c(ncc3ccccc23)C1.C1=Nc2cc3c(cc2C1)=NCN=3.C=C.C=C.C=C.C=C.C=C.[H]/[C-]=C/C1=[C-]CC=C1.[Y]
InChIInChI=1S/C12H9N.C11H8N2.2C9H7N3.C7H6.5C2H4.Y/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11;1-2-4-9-8(3-1)7-13-10-5-6-12-11(9)10;1-2-10-7-4-9-8(3-6(1)7)11-5-12-9;1-2-7-9(12-5-11-7)8-6(1)3-4-10-8;1-2-7-5-3-4-6-7;5*1-2;/h1-6,8H,7H2;1-4,6-7H,5H2;2-4H,1,5H2;1-2,4H,3,5H2;1-3,5H,4H2;5*1-2H2;/q;;;;-2;;;;;;
InChIKeyNNIDTLWUZOMHOK-UHFFFAOYSA-N
XLogP11.58
TPSA111.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.06
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3H-benzo[g]indole;2,6-dihydropyrrolo[2,3-e]benzimidazole;2,7-dihydropyrrolo[2,3-f]benzimidazole;ethene;2-ethenylcyclopenta-1,3-diene;3H-pyrrolo[3,2-c]isoquinoline;yttrium with MolForge

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Related Compounds

3H-benzo[g]indole;5,6-dimethanidylidenecyclohexa-1,3-diene;ethane;phenylbenzene;3H-pyrrolo[3,2-c]isoquinoline;bis(yttrium)
CID 160909185
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CID 160766407
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cyclopenta-1,3-diene;ethenylbenzene;1H-indene;2H-isoindole;phenanthrene;tungsten(2+)
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CID 18989461
naphtho[1,2-c]diazete
CID 54377699
(3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline
CID 143672117
2-tert-butyl-3H-benzo[g]indole
CID 58793851
9-azapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 177485700

Frequently Asked Questions

What is the IUPAC name of 3H-benzo[g]indole;2,6-dihydropyrrolo[2,3-e]benzimidazole;2,7-dihydropyrrolo[2,3-f]benzimidazole;ethene;2-ethenylcyclopenta-1,3-diene;3H-pyrrolo[3,2-c]isoquinoline;yttrium?
The IUPAC name of 3H-benzo[g]indole;2,6-dihydropyrrolo[2,3-e]benzimidazole;2,7-dihydropyrrolo[2,3-f]benzimidazole;ethene;2-ethenylcyclopenta-1,3-diene;3H-pyrrolo[3,2-c]isoquinoline;yttrium (CID 159305511) is 3H-benzo[g]indole;2,6-dihydropyrrolo[2,3-e]benzimidazole;2,7-dihydropyrrolo[2,3-f]benzimidazole;ethene;2-ethenylcyclopenta-1,3-diene;3H-pyrrolo[3,2-c]isoquinoline;yttrium.
What is the SMILES notation for 3H-benzo[g]indole;2,6-dihydropyrrolo[2,3-e]benzimidazole;2,7-dihydropyrrolo[2,3-f]benzimidazole;ethene;2-ethenylcyclopenta-1,3-diene;3H-pyrrolo[3,2-c]isoquinoline;yttrium?
The canonical SMILES for 3H-benzo[g]indole;2,6-dihydropyrrolo[2,3-e]benzimidazole;2,7-dihydropyrrolo[2,3-f]benzimidazole;ethene;2-ethenylcyclopenta-1,3-diene;3H-pyrrolo[3,2-c]isoquinoline;yttrium is C1=Nc2c(ccc3c2=NCN=3)C1.C1=Nc2c(ccc3ccccc23)C1.C1=Nc2c(ncc3ccccc23)C1.C1=Nc2cc3c(cc2C1)=NCN=3.C=C.C=C.C=C.C=C.C=C.[H]/[C-]=C/C1=[C-]CC=C1.[Y].
What is the InChIKey of 3H-benzo[g]indole;2,6-dihydropyrrolo[2,3-e]benzimidazole;2,7-dihydropyrrolo[2,3-f]benzimidazole;ethene;2-ethenylcyclopenta-1,3-diene;3H-pyrrolo[3,2-c]isoquinoline;yttrium?
The InChIKey is NNIDTLWUZOMHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.C11H8N2.2C9H7N3.C7H6.5C2H4.Y/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11;1-2-4-9-8(3-1)7-13-10-5-6-12-11(9)10;1-2-10-7-4-9-8(3-6(1)7)11-5-12-9;1-2-7-9(12-5-11-7)8-6(1)3-4-10-8;1-2-7-5-3-4-6-7;5*1-2;/h1-6,8H,7H2;1-4,6-7H,5H2;2-4H,1,5H2;1-2,4H,3,5H2;1-3,5H,4H2;5*1-2H2;/q;;;;-2;;;;;;.
What are the key properties of 3H-benzo[g]indole;2,6-dihydropyrrolo[2,3-e]benzimidazole;2,7-dihydropyrrolo[2,3-f]benzimidazole;ethene;2-ethenylcyclopenta-1,3-diene;3H-pyrrolo[3,2-c]isoquinoline;yttrium?
3H-benzo[g]indole;2,6-dihydropyrrolo[2,3-e]benzimidazole;2,7-dihydropyrrolo[2,3-f]benzimidazole;ethene;2-ethenylcyclopenta-1,3-diene;3H-pyrrolo[3,2-c]isoquinoline;yttrium has a molecular weight of 969.06 g/mol, XLogP of 11.58, 1 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzo[g]indole;2,6-dihydropyrrolo[2,3-e]benzimidazole;2,7-dihydropyrrolo[2,3-f]benzimidazole;ethene;2-ethenylcyclopenta-1,3-diene;3H-pyrrolo[3,2-c]isoquinoline;yttrium is sourced from PubChem (CID 159305511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).