2,3-di(propan-2-ylidene)-1-benzofuran;3,4-di(propan-2-ylidene)chromene;5,6-di(propan-2-ylidene)-8,9-dihydro-7H-benzo[7]annulene;4,5-di(propan-2-ylidene)-6,7-dihydro-1-benzothiophene;3,4-di(propan-2-ylidene)-1,2-dihydronaphthalene;2,3-di(propan-2-ylidene)-1H-indene;3,4-di(propan-2-ylidene)-1H-isothiochromene;3,4-di(propan-2-ylidene)thiochromene;1-methyl-2,3-di(propan-2-ylidene)-1H-indene

C137H168O2S3 — CID 159606576

IUPAC2,3-di(propan-2-ylidene)-1-benzofuran;3,4-di(propan-2-ylidene)chromene;5,6-di(propan-2-ylidene)-8,9-dihydro-7H-benzo[7]annulene;4,5-di(propan-2-ylidene)-6,7-dihydro-1-benzothiophene;3,4-di(propan-2-ylidene)-1,2-dihydronaphthalene;2,3-di(propan-2-ylidene)-1H-indene;3,4-di(propan-2-ylidene)-1H-isothiochromene;3,4-di(propan-2-ylidene)thiochromene;1-methyl-2,3-di(propan-2-ylidene)-1H-indene
SMILESCC(C)=C1C(=C(C)C)C(C)c2ccccc21.CC(C)=C1CCCc2ccccc2C1=C(C)C.CC(C)=C1CCc2ccccc2C1=C(C)C.CC(C)=C1CCc2sccc2C1=C(C)C.CC(C)=C1COc2ccccc2C1=C(C)C.CC(C)=C1CSc2ccccc2C1=C(C)C.CC(C)=C1Cc2ccccc2C1=C(C)C.CC(C)=C1SCc2ccccc2C1=C(C)C.CC(C)=c1oc2ccccc2c1=C(C)C
InChIInChI=1S/C17H22.2C16H20.C15H18O.2C15H18S.C15H18.C14H16O.C14H18S/c1-12(2)15-11-7-9-14-8-5-6-10-16(14)17(15)13(3)4;1-10(2)15-12(5)13-8-6-7-9-14(13)16(15)11(3)4;1-11(2)14-10-9-13-7-5-6-8-15(13)16(14)12(3)4;2*1-10(2)13-9-16-14-8-6-5-7-12(14)15(13)11(3)4;1-10(2)14-13-8-6-5-7-12(13)9-16-15(14)11(3)4;1-10(2)14-9-12-7-5-6-8-13(12)15(14)11(3)4;1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;1-9(2)11-5-6-13-12(7-8-15-13)14(11)10(3)4/h5-6,8,10H,7,9,11H2,1-4H3;6-9,12H,1-5H3;5-8H,9-10H2,1-4H3;3*5-8H,9H2,1-4H3;5-8H,9H2,1-4H3;5-8H,1-4H3;7-8H,5-6H2,1-4H3
InChIKeyMMDQRUJYROBBIB-UHFFFAOYSA-N
MW1943.05 g/mol
LogP41.01
Rot. Bonds

About 2,3-di(propan-2-ylidene)-1-benzofuran;3,4-di(propan-2-ylidene)chromene;5,6-di(propan-2-ylidene)-8,9-dihydro-7H-benzo[7]annulene;4,5-di(propan-2-ylidene)-6,7-dihydro-1-benzothiophene;3,4-di(propan-2-ylidene)-1,2-dihydronaphthalene;2,3-di(propan-2-ylidene)-1H-indene;3,4-di(propan-2-ylidene)-1H-isothiochromene;3,4-di(propan-2-ylidene)thiochromene;1-methyl-2,3-di(propan-2-ylidene)-1H-indene

2,3-di(propan-2-ylidene)-1-benzofuran;3,4-di(propan-2-ylidene)chromene;5,6-di(propan-2-ylidene)-8,9-dihydro-7H-benzo[7]annulene;4,5-di(propan-2-ylidene)-6,7-dihydro-1-benzothiophene;3,4-di(propan-2-ylidene)-1,2-dihydronaphthalene;2,3-di(propan-2-ylidene)-1H-indene;3,4-di(propan-2-ylidene)-1H-isothiochromene;3,4-di(propan-2-ylidene)thiochromene;1-methyl-2,3-di(propan-2-ylidene)-1H-indene (PubChem CID 159606576) has the molecular formula C137H168O2S3 and a molecular weight of 1943.05 g/mol. Its IUPAC name is 2,3-di(propan-2-ylidene)-1-benzofuran;3,4-di(propan-2-ylidene)chromene;5,6-di(propan-2-ylidene)-8,9-dihydro-7H-benzo[7]annulene;4,5-di(propan-2-ylidene)-6,7-dihydro-1-benzothiophene;3,4-di(propan-2-ylidene)-1,2-dihydronaphthalene;2,3-di(propan-2-ylidene)-1H-indene;3,4-di(propan-2-ylidene)-1H-isothiochromene;3,4-di(propan-2-ylidene)thiochromene;1-methyl-2,3-di(propan-2-ylidene)-1H-indene.

Molecular Properties

Compound Name2,3-di(propan-2-ylidene)-1-benzofuran;3,4-di(propan-2-ylidene)chromene;5,6-di(propan-2-ylidene)-8,9-dihydro-7H-benzo[7]annulene;4,5-di(propan-2-ylidene)-6,7-dihydro-1-benzothiophene;3,4-di(propan-2-ylidene)-1,2-dihydronaphthalene;2,3-di(propan-2-ylidene)-1H-indene;3,4-di(propan-2-ylidene)-1H-isothiochromene;3,4-di(propan-2-ylidene)thiochromene;1-methyl-2,3-di(propan-2-ylidene)-1H-indene
PubChem CID159606576
Molecular FormulaC137H168O2S3
Molecular Weight1943.05 g/mol
Exact Mass1941.22
IUPAC Name2,3-di(propan-2-ylidene)-1-benzofuran;3,4-di(propan-2-ylidene)chromene;5,6-di(propan-2-ylidene)-8,9-dihydro-7H-benzo[7]annulene;4,5-di(propan-2-ylidene)-6,7-dihydro-1-benzothiophene;3,4-di(propan-2-ylidene)-1,2-dihydronaphthalene;2,3-di(propan-2-ylidene)-1H-indene;3,4-di(propan-2-ylidene)-1H-isothiochromene;3,4-di(propan-2-ylidene)thiochromene;1-methyl-2,3-di(propan-2-ylidene)-1H-indene
SMILESCC(C)=C1C(=C(C)C)C(C)c2ccccc21.CC(C)=C1CCCc2ccccc2C1=C(C)C.CC(C)=C1CCc2ccccc2C1=C(C)C.CC(C)=C1CCc2sccc2C1=C(C)C.CC(C)=C1COc2ccccc2C1=C(C)C.CC(C)=C1CSc2ccccc2C1=C(C)C.CC(C)=C1Cc2ccccc2C1=C(C)C.CC(C)=C1SCc2ccccc2C1=C(C)C.CC(C)=c1oc2ccccc2c1=C(C)C
InChIInChI=1S/C17H22.2C16H20.C15H18O.2C15H18S.C15H18.C14H16O.C14H18S/c1-12(2)15-11-7-9-14-8-5-6-10-16(14)17(15)13(3)4;1-10(2)15-12(5)13-8-6-7-9-14(13)16(15)11(3)4;1-11(2)14-10-9-13-7-5-6-8-15(13)16(14)12(3)4;2*1-10(2)13-9-16-14-8-6-5-7-12(14)15(13)11(3)4;1-10(2)14-13-8-6-5-7-12(13)9-16-15(14)11(3)4;1-10(2)14-9-12-7-5-6-8-13(12)15(14)11(3)4;1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;1-9(2)11-5-6-13-12(7-8-15-13)14(11)10(3)4/h5-6,8,10H,7,9,11H2,1-4H3;6-9,12H,1-5H3;5-8H,9-10H2,1-4H3;3*5-8H,9H2,1-4H3;5-8H,9H2,1-4H3;5-8H,1-4H3;7-8H,5-6H2,1-4H3
InChIKeyMMDQRUJYROBBIB-UHFFFAOYSA-N
XLogP41.01
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001943.05
LogP ≤ 541.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-di(propan-2-ylidene)-1-benzofuran;3,4-di(propan-2-ylidene)chromene;5,6-di(propan-2-ylidene)-8,9-dihydro-7H-benzo[7]annulene;4,5-di(propan-2-ylidene)-6,7-dihydro-1-benzothiophene;3,4-di(propan-2-ylidene)-1,2-dihydronaphthalene;2,3-di(propan-2-ylidene)-1H-indene;3,4-di(propan-2-ylidene)-1H-isothiochromene;3,4-di(propan-2-ylidene)thiochromene;1-methyl-2,3-di(propan-2-ylidene)-1H-indene with MolForge

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Related Compounds

1-Ethoxy-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylthiophene;1-methylsulfanyl-2-propan-2-ylbenzene;7-propan-2-yl-2,3-dihydro-1-benzofuran;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 160594040
1-Ethoxy-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylthiophene;1-methylsulfanyl-2-propan-2-ylbenzene;7-propan-2-yl-2,3-dihydro-1-benzofuran;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 162125083
3-[2-[(1E,3E)-7-[12-(4a,8a-dihydronaphthalen-1-yl)benzo[10]annulen-5-yl]octa-1,3,7-trienyl]-1-benzothiophen-3-yl]-4a,9b-dihydrodibenzofuran
CID 130212795
ethane;(3Z)-3-[(Z)-4-[3-[5-(9H-fluoren-3-yl)-2-methylphenyl]-4-methylphenyl]pent-2-enylidene]-1-benzofuran;10,12,12-trimethyl-3,4-dihydrofluoreno[2,1-b][1]benzothiole
CID 144578849
4-[4-[[3,6-Bis(4-dibenzothiophen-4-ylphenyl)fluoren-9-ylidene]methyl]phenyl]-4,4a-dihydrodibenzofuran
CID 145108759
2-(9,9-Dioctyl-7-phenylfluoren-2-yl)-7-[9-[30-[7-[7-(9,9-dioctyl-7-phenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]dibenzothiophen-1-yl]-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]dibenzothiophen-3-yl]spiro[fluorene-9,9'-xanthene]
CID 146593858
7-(35,38-Dithiophen-2-yl-24-pentadecacyclo[27.17.2.230,33.13,10.112,16.02,25.04,9.011,21.026,47.031,43.032,40.034,39.044,48.020,51.023,52]dopentaconta-1,3(52),4,6,8,10,12,14,16(51),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49-hexacosaenyl)-9,9-dimethyl-1,2,3,4,4a,9a-hexahydroxanthene
CID 155350570
10-[3-[4-[10-[3-[4-(19-Dibenzothiophen-4-yl-22,22-dimethyl-10-phenyl-3-heptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16(21),17,19,23-tridecaenyl)phenyl]phenyl]-22-oxaheptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16,18,20,23-tridecaen-3-yl]phenyl]phenyl]-19-naphthalen-2-yl-3-phenyl-22-oxaheptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16(21),17,19,23-tridecaene
CID 156038977
9,9-diphenyl-4-(10-phenylanthracen-9-yl)xanthene;2-(10-phenylanthracen-9-yl)-1-benzothiophene;7-(10-phenylanthracen-9-yl)-3,4-dihydro-2H-chromene;2'-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
CID 157509662
ethane;spiro[9H-anthracene-10,9'-fluorene];spiro[benzo[b][1]benzosilole-5,1'-silole];spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole];5,5'-spirobi[benzo[b][1]benzosilole];1,1'-spirobi[1-benzosilole];spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene];spiro[thioxanthene-9,9'-xanthene]
CID 157810018
4a,10a-dihydrophenoxathiine;dibenzothiophene;ethane;9H-fluorene;hexakis(2-methylpropane)
CID 158798482
CID 158828918
CID 158828918

Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-ylidene)-1-benzofuran;3,4-di(propan-2-ylidene)chromene;5,6-di(propan-2-ylidene)-8,9-dihydro-7H-benzo[7]annulene;4,5-di(propan-2-ylidene)-6,7-dihydro-1-benzothiophene;3,4-di(propan-2-ylidene)-1,2-dihydronaphthalene;2,3-di(propan-2-ylidene)-1H-indene;3,4-di(propan-2-ylidene)-1H-isothiochromene;3,4-di(propan-2-ylidene)thiochromene;1-methyl-2,3-di(propan-2-ylidene)-1H-indene?
The IUPAC name of 2,3-di(propan-2-ylidene)-1-benzofuran;3,4-di(propan-2-ylidene)chromene;5,6-di(propan-2-ylidene)-8,9-dihydro-7H-benzo[7]annulene;4,5-di(propan-2-ylidene)-6,7-dihydro-1-benzothiophene;3,4-di(propan-2-ylidene)-1,2-dihydronaphthalene;2,3-di(propan-2-ylidene)-1H-indene;3,4-di(propan-2-ylidene)-1H-isothiochromene;3,4-di(propan-2-ylidene)thiochromene;1-methyl-2,3-di(propan-2-ylidene)-1H-indene (CID 159606576) is 2,3-di(propan-2-ylidene)-1-benzofuran;3,4-di(propan-2-ylidene)chromene;5,6-di(propan-2-ylidene)-8,9-dihydro-7H-benzo[7]annulene;4,5-di(propan-2-ylidene)-6,7-dihydro-1-benzothiophene;3,4-di(propan-2-ylidene)-1,2-dihydronaphthalene;2,3-di(propan-2-ylidene)-1H-indene;3,4-di(propan-2-ylidene)-1H-isothiochromene;3,4-di(propan-2-ylidene)thiochromene;1-methyl-2,3-di(propan-2-ylidene)-1H-indene.
What is the SMILES notation for 2,3-di(propan-2-ylidene)-1-benzofuran;3,4-di(propan-2-ylidene)chromene;5,6-di(propan-2-ylidene)-8,9-dihydro-7H-benzo[7]annulene;4,5-di(propan-2-ylidene)-6,7-dihydro-1-benzothiophene;3,4-di(propan-2-ylidene)-1,2-dihydronaphthalene;2,3-di(propan-2-ylidene)-1H-indene;3,4-di(propan-2-ylidene)-1H-isothiochromene;3,4-di(propan-2-ylidene)thiochromene;1-methyl-2,3-di(propan-2-ylidene)-1H-indene?
The canonical SMILES for 2,3-di(propan-2-ylidene)-1-benzofuran;3,4-di(propan-2-ylidene)chromene;5,6-di(propan-2-ylidene)-8,9-dihydro-7H-benzo[7]annulene;4,5-di(propan-2-ylidene)-6,7-dihydro-1-benzothiophene;3,4-di(propan-2-ylidene)-1,2-dihydronaphthalene;2,3-di(propan-2-ylidene)-1H-indene;3,4-di(propan-2-ylidene)-1H-isothiochromene;3,4-di(propan-2-ylidene)thiochromene;1-methyl-2,3-di(propan-2-ylidene)-1H-indene is CC(C)=C1C(=C(C)C)C(C)c2ccccc21.CC(C)=C1CCCc2ccccc2C1=C(C)C.CC(C)=C1CCc2ccccc2C1=C(C)C.CC(C)=C1CCc2sccc2C1=C(C)C.CC(C)=C1COc2ccccc2C1=C(C)C.CC(C)=C1CSc2ccccc2C1=C(C)C.CC(C)=C1Cc2ccccc2C1=C(C)C.CC(C)=C1SCc2ccccc2C1=C(C)C.CC(C)=c1oc2ccccc2c1=C(C)C.
What is the InChIKey of 2,3-di(propan-2-ylidene)-1-benzofuran;3,4-di(propan-2-ylidene)chromene;5,6-di(propan-2-ylidene)-8,9-dihydro-7H-benzo[7]annulene;4,5-di(propan-2-ylidene)-6,7-dihydro-1-benzothiophene;3,4-di(propan-2-ylidene)-1,2-dihydronaphthalene;2,3-di(propan-2-ylidene)-1H-indene;3,4-di(propan-2-ylidene)-1H-isothiochromene;3,4-di(propan-2-ylidene)thiochromene;1-methyl-2,3-di(propan-2-ylidene)-1H-indene?
The InChIKey is MMDQRUJYROBBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22.2C16H20.C15H18O.2C15H18S.C15H18.C14H16O.C14H18S/c1-12(2)15-11-7-9-14-8-5-6-10-16(14)17(15)13(3)4;1-10(2)15-12(5)13-8-6-7-9-14(13)16(15)11(3)4;1-11(2)14-10-9-13-7-5-6-8-15(13)16(14)12(3)4;2*1-10(2)13-9-16-14-8-6-5-7-12(14)15(13)11(3)4;1-10(2)14-13-8-6-5-7-12(13)9-16-15(14)11(3)4;1-10(2)14-9-12-7-5-6-8-13(12)15(14)11(3)4;1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;1-9(2)11-5-6-13-12(7-8-15-13)14(11)10(3)4/h5-6,8,10H,7,9,11H2,1-4H3;6-9,12H,1-5H3;5-8H,9-10H2,1-4H3;3*5-8H,9H2,1-4H3;5-8H,9H2,1-4H3;5-8H,1-4H3;7-8H,5-6H2,1-4H3.
What are the key properties of 2,3-di(propan-2-ylidene)-1-benzofuran;3,4-di(propan-2-ylidene)chromene;5,6-di(propan-2-ylidene)-8,9-dihydro-7H-benzo[7]annulene;4,5-di(propan-2-ylidene)-6,7-dihydro-1-benzothiophene;3,4-di(propan-2-ylidene)-1,2-dihydronaphthalene;2,3-di(propan-2-ylidene)-1H-indene;3,4-di(propan-2-ylidene)-1H-isothiochromene;3,4-di(propan-2-ylidene)thiochromene;1-methyl-2,3-di(propan-2-ylidene)-1H-indene?
2,3-di(propan-2-ylidene)-1-benzofuran;3,4-di(propan-2-ylidene)chromene;5,6-di(propan-2-ylidene)-8,9-dihydro-7H-benzo[7]annulene;4,5-di(propan-2-ylidene)-6,7-dihydro-1-benzothiophene;3,4-di(propan-2-ylidene)-1,2-dihydronaphthalene;2,3-di(propan-2-ylidene)-1H-indene;3,4-di(propan-2-ylidene)-1H-isothiochromene;3,4-di(propan-2-ylidene)thiochromene;1-methyl-2,3-di(propan-2-ylidene)-1H-indene has a molecular weight of 1943.05 g/mol, XLogP of 41.01, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-ylidene)-1-benzofuran;3,4-di(propan-2-ylidene)chromene;5,6-di(propan-2-ylidene)-8,9-dihydro-7H-benzo[7]annulene;4,5-di(propan-2-ylidene)-6,7-dihydro-1-benzothiophene;3,4-di(propan-2-ylidene)-1,2-dihydronaphthalene;2,3-di(propan-2-ylidene)-1H-indene;3,4-di(propan-2-ylidene)-1H-isothiochromene;3,4-di(propan-2-ylidene)thiochromene;1-methyl-2,3-di(propan-2-ylidene)-1H-indene is sourced from PubChem (CID 159606576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).