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)

C144H102Y6-12 — CID 157194827

IUPAC1-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)
SMILESC/[C-]=C(\C)c1[c-]c2cc3cc4cc5ccccc5cc4cc3cc2cc1.C/[C-]=C(\C)c1[c-]c2cc3cc4ccccc4cc3cc2cc1.C/[C-]=C(\C)c1[c-]cc2cc3cc4cc5ccccc5cc4cc3cc2c1.C/[C-]=C(\C)c1[c-]cc2cc3cc4ccccc4cc3cc2c1.C/[C-]=C(\C)c1[c-]ccc2cc3cc4cc5ccccc5cc4cc3cc12.C/[C-]=C(\C)c1[c-]ccc2cc3cc4ccccc4cc3cc12.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/3C26H18.3C22H16.6Y/c1-3-17(2)25-10-6-9-20-13-23-14-21-11-18-7-4-5-8-19(18)12-22(21)15-24(23)16-26(20)25;2*1-3-17(2)18-8-9-21-13-25-15-23-11-19-6-4-5-7-20(19)12-24(23)16-26(25)14-22(21)10-18;1-3-15(2)21-10-6-9-18-13-19-11-16-7-4-5-8-17(16)12-20(19)14-22(18)21;2*1-3-15(2)16-8-9-19-13-21-11-17-6-4-5-7-18(17)12-22(21)14-20(19)10-16;;;;;;/h4-9,11-16H,1-2H3;4-7,9-16H,1-2H3;4-9,11-16H,1-2H3;4-9,11-14H,1-2H3;4-7,9-14H,1-2H3;4-9,11-14H,1-2H3;;;;;;/q6*-2;;;;;;
InChIKeyNDUKYJNZYZNUCL-UHFFFAOYSA-N
MW2365.84 g/mol
LogP40.48
Rot. Bonds6

About 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)

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) (PubChem CID 157194827) has the molecular formula C144H102Y6-12 and a molecular weight of 2365.84 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name1-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)
PubChem CID157194827
Molecular FormulaC144H102Y6-12
Molecular Weight2365.84 g/mol
Exact Mass2364.24
IUPAC Name1-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)
SMILESC/[C-]=C(\C)c1[c-]c2cc3cc4cc5ccccc5cc4cc3cc2cc1.C/[C-]=C(\C)c1[c-]c2cc3cc4ccccc4cc3cc2cc1.C/[C-]=C(\C)c1[c-]cc2cc3cc4cc5ccccc5cc4cc3cc2c1.C/[C-]=C(\C)c1[c-]cc2cc3cc4ccccc4cc3cc2c1.C/[C-]=C(\C)c1[c-]ccc2cc3cc4cc5ccccc5cc4cc3cc12.C/[C-]=C(\C)c1[c-]ccc2cc3cc4ccccc4cc3cc12.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/3C26H18.3C22H16.6Y/c1-3-17(2)25-10-6-9-20-13-23-14-21-11-18-7-4-5-8-19(18)12-22(21)15-24(23)16-26(20)25;2*1-3-17(2)18-8-9-21-13-25-15-23-11-19-6-4-5-7-20(19)12-24(23)16-26(25)14-22(21)10-18;1-3-15(2)21-10-6-9-18-13-19-11-16-7-4-5-8-17(16)12-20(19)14-22(18)21;2*1-3-15(2)16-8-9-19-13-21-11-17-6-4-5-7-18(17)12-22(21)14-20(19)10-16;;;;;;/h4-9,11-16H,1-2H3;4-7,9-16H,1-2H3;4-9,11-16H,1-2H3;4-9,11-14H,1-2H3;4-7,9-14H,1-2H3;4-9,11-14H,1-2H3;;;;;;/q6*-2;;;;;;
InChIKeyNDUKYJNZYZNUCL-UHFFFAOYSA-N
XLogP40.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002365.84
LogP ≤ 540.48
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-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) with MolForge

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Related Compounds

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
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
2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;yttrium
CID 58813824
3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium
CID 58813694
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
2-(2H-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium
CID 58813566
octacyclo[16.16.0.02,15.04,13.06,11.019,32.021,30.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 12657600
2-(2H-anthracen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium
CID 58813445
1-(2,3,4-triacetylpentacen-1-yl)ethanone
CID 87274397
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
3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium
CID 58813892

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is C/[C-]=C(\C)c1[c-]c2cc3cc4cc5ccccc5cc4cc3cc2cc1.C/[C-]=C(\C)c1[c-]c2cc3cc4ccccc4cc3cc2cc1.C/[C-]=C(\C)c1[c-]cc2cc3cc4cc5ccccc5cc4cc3cc2c1.C/[C-]=C(\C)c1[c-]cc2cc3cc4ccccc4cc3cc2c1.C/[C-]=C(\C)c1[c-]ccc2cc3cc4cc5ccccc5cc4cc3cc12.C/[C-]=C(\C)c1[c-]ccc2cc3cc4ccccc4cc3cc12.[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 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)?
The InChIKey is NDUKYJNZYZNUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C26H18.3C22H16.6Y/c1-3-17(2)25-10-6-9-20-13-23-14-21-11-18-7-4-5-8-19(18)12-22(21)15-24(23)16-26(20)25;2*1-3-17(2)18-8-9-21-13-25-15-23-11-19-6-4-5-7-20(19)12-24(23)16-26(25)14-22(21)10-18;1-3-15(2)21-10-6-9-18-13-19-11-16-7-4-5-8-17(16)12-20(19)14-22(18)21;2*1-3-15(2)16-8-9-19-13-21-11-17-6-4-5-7-18(17)12-22(21)14-20(19)10-16;;;;;;/h4-9,11-16H,1-2H3;4-7,9-16H,1-2H3;4-9,11-16H,1-2H3;4-9,11-14H,1-2H3;4-7,9-14H,1-2H3;4-9,11-14H,1-2H3;;;;;;/q6*-2;;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 2365.84 g/mol, XLogP of 40.48, 6 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-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) is sourced from PubChem (CID 157194827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).