1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium)

C128H104Y8-16 — CID 159611216

IUPAC1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium)
SMILESC/[C-]=C(\C)c1[c-]c2cc3ccccc3cc2cc1.C/[C-]=C(\C)c1[c-]c2ccccc2cc1.C/[C-]=C(\C)c1[c-]cc2cc3cc4ccccc4cc3cc2c1.C/[C-]=C(\C)c1[c-]cc2cc3ccccc3cc2c1.C/[C-]=C(\C)c1[c-]cc2ccccc2c1.C/[C-]=C(\C)c1[c-]ccc2cc3ccccc3cc12.C/[C-]=C(\C)c1[c-]ccc2ccccc12.C/[C-]=C(\C)c1[c-]cccc1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C22H16.3C18H14.3C14H12.C10H10.8Y/c1-3-15(2)16-8-9-19-13-21-11-17-6-4-5-7-18(17)12-22(21)14-20(19)10-16;1-3-13(2)17-10-6-9-16-11-14-7-4-5-8-15(14)12-18(16)17;2*1-3-13(2)14-8-9-17-11-15-6-4-5-7-16(15)12-18(17)10-14;1-3-11(2)13-10-6-8-12-7-4-5-9-14(12)13;2*1-3-11(2)13-9-8-12-6-4-5-7-14(12)10-13;1-3-9(2)10-7-5-4-6-8-10;;;;;;;;/h4-7,9-14H,1-2H3;4-9,11-12H,1-2H3;4-7,9-12H,1-2H3;4-9,11-12H,1-2H3;4-9H,1-2H3;4-8,10H,1-2H3;4-9H,1-2H3;4-7H,1-2H3;;;;;;;;/q8*-2;;;;;;;;
InChIKeyKPASSSGTRLUSCC-UHFFFAOYSA-N
MW2353.49 g/mol
LogP35.52
Rot. Bonds8

About 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium)

1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium) (PubChem CID 159611216) has the molecular formula C128H104Y8-16 and a molecular weight of 2353.49 g/mol. Its IUPAC name is 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium).

Molecular Properties

Compound Name1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium)
PubChem CID159611216
Molecular FormulaC128H104Y8-16
Molecular Weight2353.49 g/mol
Exact Mass2352.07
IUPAC Name1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium)
SMILESC/[C-]=C(\C)c1[c-]c2cc3ccccc3cc2cc1.C/[C-]=C(\C)c1[c-]c2ccccc2cc1.C/[C-]=C(\C)c1[c-]cc2cc3cc4ccccc4cc3cc2c1.C/[C-]=C(\C)c1[c-]cc2cc3ccccc3cc2c1.C/[C-]=C(\C)c1[c-]cc2ccccc2c1.C/[C-]=C(\C)c1[c-]ccc2cc3ccccc3cc12.C/[C-]=C(\C)c1[c-]ccc2ccccc12.C/[C-]=C(\C)c1[c-]cccc1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C22H16.3C18H14.3C14H12.C10H10.8Y/c1-3-15(2)16-8-9-19-13-21-11-17-6-4-5-7-18(17)12-22(21)14-20(19)10-16;1-3-13(2)17-10-6-9-16-11-14-7-4-5-8-15(14)12-18(16)17;2*1-3-13(2)14-8-9-17-11-15-6-4-5-7-16(15)12-18(17)10-14;1-3-11(2)13-10-6-8-12-7-4-5-9-14(12)13;2*1-3-11(2)13-9-8-12-6-4-5-7-14(12)10-13;1-3-9(2)10-7-5-4-6-8-10;;;;;;;;/h4-7,9-14H,1-2H3;4-9,11-12H,1-2H3;4-7,9-12H,1-2H3;4-9,11-12H,1-2H3;4-9H,1-2H3;4-8,10H,1-2H3;4-9H,1-2H3;4-7H,1-2H3;;;;;;;;/q8*-2;;;;;;;;
InChIKeyKPASSSGTRLUSCC-UHFFFAOYSA-N
XLogP35.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002353.49
LogP ≤ 535.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium) with MolForge

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Related Compounds

1-but-2-en-2-yl-2H-pentacen-2-ide;2-but-2-en-2-yl-1H-pentacen-1-ide;3-but-2-en-2-yl-2H-pentacen-2-ide;1-but-2-en-2-yl-2H-tetracen-2-ide;2-but-2-en-2-yl-1H-tetracen-1-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;hexakis(yttrium)
CID 157194827
1-(1H-anthracen-1-id-2-yl)-2H-anthracen-2-ide;1-(3H-anthracen-3-id-2-yl)-2H-anthracen-2-ide;1-(2H-anthracen-2-id-1-yl)-2H-pentacen-2-ide;2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;3-(2H-anthracen-2-id-1-yl)-2H-pentacen-2-ide;1-(2H-anthracen-2-id-1-yl)-2H-tetracen-2-ide;2-(2H-anthracen-2-id-1-yl)-1H-tetracen-1-ide;3-(2H-anthracen-2-id-1-yl)-2H-tetracen-2-ide;ethane;octakis(yttrium)
CID 159293080
but-2-en-2-ylbenzene;tungsten(2+)
CID 20767133
2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;yttrium
CID 58813824
1-(2H-naphthalen-2-id-1-yl)-2H-anthracen-2-ide;yttrium
CID 58813435
1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium
CID 58813461
3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium
CID 58813694
heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
lithium 5H-benzo[a]anthracen-5-ide
CID 173034453
9H-anthracen-9-ide;carbanide;yttrium
CID 170732925
CID 157090523
CID 157090523
benzo[a]anthracene;hydrobromide
CID 159787028

Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium)?
The IUPAC name of 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium) (CID 159611216) is 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium).
What is the SMILES notation for 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium)?
The canonical SMILES for 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium) is C/[C-]=C(\C)c1[c-]c2cc3ccccc3cc2cc1.C/[C-]=C(\C)c1[c-]c2ccccc2cc1.C/[C-]=C(\C)c1[c-]cc2cc3cc4ccccc4cc3cc2c1.C/[C-]=C(\C)c1[c-]cc2cc3ccccc3cc2c1.C/[C-]=C(\C)c1[c-]cc2ccccc2c1.C/[C-]=C(\C)c1[c-]ccc2cc3ccccc3cc12.C/[C-]=C(\C)c1[c-]ccc2ccccc12.C/[C-]=C(\C)c1[c-]cccc1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium)?
The InChIKey is KPASSSGTRLUSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16.3C18H14.3C14H12.C10H10.8Y/c1-3-15(2)16-8-9-19-13-21-11-17-6-4-5-7-18(17)12-22(21)14-20(19)10-16;1-3-13(2)17-10-6-9-16-11-14-7-4-5-8-15(14)12-18(16)17;2*1-3-13(2)14-8-9-17-11-15-6-4-5-7-16(15)12-18(17)10-14;1-3-11(2)13-10-6-8-12-7-4-5-9-14(12)13;2*1-3-11(2)13-9-8-12-6-4-5-7-14(12)10-13;1-3-9(2)10-7-5-4-6-8-10;;;;;;;;/h4-7,9-14H,1-2H3;4-9,11-12H,1-2H3;4-7,9-12H,1-2H3;4-9,11-12H,1-2H3;4-9H,1-2H3;4-8,10H,1-2H3;4-9H,1-2H3;4-7H,1-2H3;;;;;;;;/q8*-2;;;;;;;;.
What are the key properties of 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium)?
1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium) has a molecular weight of 2353.49 g/mol, XLogP of 35.52, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium) is sourced from PubChem (CID 159611216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).