5,6-ditert-butyl-1-benzofuran;5,6-ditert-butyl-2-benzofuran;5,6-ditert-butyl-1-benzothiophene;5,6-ditert-butyl-2-benzothiophene;2,3-ditert-butyl-4H-cyclopenta[c]pyrrole;4,5-ditert-butyl-2H-indene;5,6-ditert-butyl-2H-indene;1,2-ditert-butylindole;2,3-ditert-butyl-1H-indole;4,5-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole;6,7-ditert-butyl-1H-indole;2,3-ditert-butylindolizine;6,7-ditert-butylindolizine;7,8-ditert-butylindolizine;1,2-ditert-butylisoindole;2,3-ditert-butylthieno[3,2-b]furan;4,5-ditert-butylthieno[2,3-c]pyrrole;methane

C288H419N11O3S4 — CID 158851740

IUPAC5,6-ditert-butyl-1-benzofuran;5,6-ditert-butyl-2-benzofuran;5,6-ditert-butyl-1-benzothiophene;5,6-ditert-butyl-2-benzothiophene;2,3-ditert-butyl-4H-cyclopenta[c]pyrrole;4,5-ditert-butyl-2H-indene;5,6-ditert-butyl-2H-indene;1,2-ditert-butylindole;2,3-ditert-butyl-1H-indole;4,5-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole;6,7-ditert-butyl-1H-indole;2,3-ditert-butylindolizine;6,7-ditert-butylindolizine;7,8-ditert-butylindolizine;1,2-ditert-butylisoindole;2,3-ditert-butylthieno[3,2-b]furan;4,5-ditert-butylthieno[2,3-c]pyrrole;methane
SMILESC.C.C.CC(C)(C)c1[nH]c2ccccc2c1C(C)(C)C.CC(C)(C)c1c2c(cn1C(C)(C)C)C=CC2.CC(C)(C)c1c2ccccc2cn1C(C)(C)C.CC(C)(C)c1c2ccsc2cn1C(C)(C)C.CC(C)(C)c1cc2c(cc1C(C)(C)C)=CCC=2.CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)(C)c1cc2ccccc2n1C(C)(C)C.CC(C)(C)c1cc2ccccn2c1C(C)(C)C.CC(C)(C)c1cc2cccn2cc1C(C)(C)C.CC(C)(C)c1cc2ccoc2cc1C(C)(C)C.CC(C)(C)c1cc2ccsc2cc1C(C)(C)C.CC(C)(C)c1cc2cocc2cc1C(C)(C)C.CC(C)(C)c1cc2cscc2cc1C(C)(C)C.CC(C)(C)c1ccc2[nH]ccc2c1C(C)(C)C.CC(C)(C)c1ccc2c(c1C(C)(C)C)=CCC=2.CC(C)(C)c1ccc2cc[nH]c2c1C(C)(C)C.CC(C)(C)c1ccn2cccc2c1C(C)(C)C.CC(C)(C)c1oc2ccsc2c1C(C)(C)C
InChIInChI=1S/2C17H24.9C16H23N.2C16H22O.2C16H22S.C15H23N.C14H21NS.C14H20OS.3CH4/c1-16(2,3)14-10-12-8-7-9-13(12)11-15(14)17(4,5)6;1-16(2,3)14-11-10-12-8-7-9-13(12)15(14)17(4,5)6;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-15(2,3)12-7-8-13-11(9-10-17-13)14(12)16(4,5)6;1-15(2,3)12-8-7-11-9-10-17-14(11)13(12)16(4,5)6;1-15(2,3)12-9-11-17-10-7-8-13(17)14(12)16(4,5)6;1-15(2,3)13-10-12-8-7-9-17(12)11-14(13)16(4,5)6;1-15(2,3)13-11-12-9-7-8-10-17(12)14(13)16(4,5)6;1-15(2,3)14-13-10-8-7-9-12(13)11-17(14)16(4,5)6;1-15(2,3)14-11-12-9-7-8-10-13(12)17(14)16(4,5)6;1-15(2,3)13-11-9-7-8-10-12(11)17-14(13)16(4,5)6;1-15(2,3)13-7-11-9-17-10-12(11)8-14(13)16(4,5)6;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-15(2,3)13-7-11-9-17-10-12(11)8-14(13)16(4,5)6;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-14(2,3)13-12-9-7-8-11(12)10-16(13)15(4,5)6;1-13(2,3)12-10-7-8-16-11(10)9-15(12)14(4,5)6;1-13(2,3)10-11-9(7-8-16-11)15-12(10)14(4,5)6;;;/h2*8-11H,7H2,1-6H3;3*7-10,17H,1-6H3;5*7-11H,1-6H3;7-10,17H,1-6H3;4*7-10H,1-6H3;7-8,10H,9H2,1-6H3;7-9H,1-6H3;7-8H,1-6H3;3*1H4
InChIKeyIZNPTFGOWWACIB-UHFFFAOYSA-N
MW4211.86 g/mol
LogP85.45
Rot. Bonds

About 5,6-ditert-butyl-1-benzofuran;5,6-ditert-butyl-2-benzofuran;5,6-ditert-butyl-1-benzothiophene;5,6-ditert-butyl-2-benzothiophene;2,3-ditert-butyl-4H-cyclopenta[c]pyrrole;4,5-ditert-butyl-2H-indene;5,6-ditert-butyl-2H-indene;1,2-ditert-butylindole;2,3-ditert-butyl-1H-indole;4,5-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole;6,7-ditert-butyl-1H-indole;2,3-ditert-butylindolizine;6,7-ditert-butylindolizine;7,8-ditert-butylindolizine;1,2-ditert-butylisoindole;2,3-ditert-butylthieno[3,2-b]furan;4,5-ditert-butylthieno[2,3-c]pyrrole;methane

5,6-ditert-butyl-1-benzofuran;5,6-ditert-butyl-2-benzofuran;5,6-ditert-butyl-1-benzothiophene;5,6-ditert-butyl-2-benzothiophene;2,3-ditert-butyl-4H-cyclopenta[c]pyrrole;4,5-ditert-butyl-2H-indene;5,6-ditert-butyl-2H-indene;1,2-ditert-butylindole;2,3-ditert-butyl-1H-indole;4,5-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole;6,7-ditert-butyl-1H-indole;2,3-ditert-butylindolizine;6,7-ditert-butylindolizine;7,8-ditert-butylindolizine;1,2-ditert-butylisoindole;2,3-ditert-butylthieno[3,2-b]furan;4,5-ditert-butylthieno[2,3-c]pyrrole;methane (PubChem CID 158851740) has the molecular formula C288H419N11O3S4 and a molecular weight of 4211.86 g/mol. Its IUPAC name is 5,6-ditert-butyl-1-benzofuran;5,6-ditert-butyl-2-benzofuran;5,6-ditert-butyl-1-benzothiophene;5,6-ditert-butyl-2-benzothiophene;2,3-ditert-butyl-4H-cyclopenta[c]pyrrole;4,5-ditert-butyl-2H-indene;5,6-ditert-butyl-2H-indene;1,2-ditert-butylindole;2,3-ditert-butyl-1H-indole;4,5-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole;6,7-ditert-butyl-1H-indole;2,3-ditert-butylindolizine;6,7-ditert-butylindolizine;7,8-ditert-butylindolizine;1,2-ditert-butylisoindole;2,3-ditert-butylthieno[3,2-b]furan;4,5-ditert-butylthieno[2,3-c]pyrrole;methane.

Molecular Properties

Compound Name5,6-ditert-butyl-1-benzofuran;5,6-ditert-butyl-2-benzofuran;5,6-ditert-butyl-1-benzothiophene;5,6-ditert-butyl-2-benzothiophene;2,3-ditert-butyl-4H-cyclopenta[c]pyrrole;4,5-ditert-butyl-2H-indene;5,6-ditert-butyl-2H-indene;1,2-ditert-butylindole;2,3-ditert-butyl-1H-indole;4,5-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole;6,7-ditert-butyl-1H-indole;2,3-ditert-butylindolizine;6,7-ditert-butylindolizine;7,8-ditert-butylindolizine;1,2-ditert-butylisoindole;2,3-ditert-butylthieno[3,2-b]furan;4,5-ditert-butylthieno[2,3-c]pyrrole;methane
PubChem CID158851740
Molecular FormulaC288H419N11O3S4
Molecular Weight4211.86 g/mol
Exact Mass4208.19
IUPAC Name5,6-ditert-butyl-1-benzofuran;5,6-ditert-butyl-2-benzofuran;5,6-ditert-butyl-1-benzothiophene;5,6-ditert-butyl-2-benzothiophene;2,3-ditert-butyl-4H-cyclopenta[c]pyrrole;4,5-ditert-butyl-2H-indene;5,6-ditert-butyl-2H-indene;1,2-ditert-butylindole;2,3-ditert-butyl-1H-indole;4,5-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole;6,7-ditert-butyl-1H-indole;2,3-ditert-butylindolizine;6,7-ditert-butylindolizine;7,8-ditert-butylindolizine;1,2-ditert-butylisoindole;2,3-ditert-butylthieno[3,2-b]furan;4,5-ditert-butylthieno[2,3-c]pyrrole;methane
SMILESC.C.C.CC(C)(C)c1[nH]c2ccccc2c1C(C)(C)C.CC(C)(C)c1c2c(cn1C(C)(C)C)C=CC2.CC(C)(C)c1c2ccccc2cn1C(C)(C)C.CC(C)(C)c1c2ccsc2cn1C(C)(C)C.CC(C)(C)c1cc2c(cc1C(C)(C)C)=CCC=2.CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)(C)c1cc2ccccc2n1C(C)(C)C.CC(C)(C)c1cc2ccccn2c1C(C)(C)C.CC(C)(C)c1cc2cccn2cc1C(C)(C)C.CC(C)(C)c1cc2ccoc2cc1C(C)(C)C.CC(C)(C)c1cc2ccsc2cc1C(C)(C)C.CC(C)(C)c1cc2cocc2cc1C(C)(C)C.CC(C)(C)c1cc2cscc2cc1C(C)(C)C.CC(C)(C)c1ccc2[nH]ccc2c1C(C)(C)C.CC(C)(C)c1ccc2c(c1C(C)(C)C)=CCC=2.CC(C)(C)c1ccc2cc[nH]c2c1C(C)(C)C.CC(C)(C)c1ccn2cccc2c1C(C)(C)C.CC(C)(C)c1oc2ccsc2c1C(C)(C)C
InChIInChI=1S/2C17H24.9C16H23N.2C16H22O.2C16H22S.C15H23N.C14H21NS.C14H20OS.3CH4/c1-16(2,3)14-10-12-8-7-9-13(12)11-15(14)17(4,5)6;1-16(2,3)14-11-10-12-8-7-9-13(12)15(14)17(4,5)6;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-15(2,3)12-7-8-13-11(9-10-17-13)14(12)16(4,5)6;1-15(2,3)12-8-7-11-9-10-17-14(11)13(12)16(4,5)6;1-15(2,3)12-9-11-17-10-7-8-13(17)14(12)16(4,5)6;1-15(2,3)13-10-12-8-7-9-17(12)11-14(13)16(4,5)6;1-15(2,3)13-11-12-9-7-8-10-17(12)14(13)16(4,5)6;1-15(2,3)14-13-10-8-7-9-12(13)11-17(14)16(4,5)6;1-15(2,3)14-11-12-9-7-8-10-13(12)17(14)16(4,5)6;1-15(2,3)13-11-9-7-8-10-12(11)17-14(13)16(4,5)6;1-15(2,3)13-7-11-9-17-10-12(11)8-14(13)16(4,5)6;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-15(2,3)13-7-11-9-17-10-12(11)8-14(13)16(4,5)6;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-14(2,3)13-12-9-7-8-11(12)10-16(13)15(4,5)6;1-13(2,3)12-10-7-8-16-11(10)9-15(12)14(4,5)6;1-13(2,3)10-11-9(7-8-16-11)15-12(10)14(4,5)6;;;/h2*8-11H,7H2,1-6H3;3*7-10,17H,1-6H3;5*7-11H,1-6H3;7-10,17H,1-6H3;4*7-10H,1-6H3;7-8,10H,9H2,1-6H3;7-9H,1-6H3;7-8H,1-6H3;3*1H4
InChIKeyIZNPTFGOWWACIB-UHFFFAOYSA-N
XLogP85.45
TPSA135.53 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms306
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004211.86
LogP ≤ 585.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 5,6-ditert-butyl-1-benzofuran;5,6-ditert-butyl-2-benzofuran;5,6-ditert-butyl-1-benzothiophene;5,6-ditert-butyl-2-benzothiophene;2,3-ditert-butyl-4H-cyclopenta[c]pyrrole;4,5-ditert-butyl-2H-indene;5,6-ditert-butyl-2H-indene;1,2-ditert-butylindole;2,3-ditert-butyl-1H-indole;4,5-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole;6,7-ditert-butyl-1H-indole;2,3-ditert-butylindolizine;6,7-ditert-butylindolizine;7,8-ditert-butylindolizine;1,2-ditert-butylisoindole;2,3-ditert-butylthieno[3,2-b]furan;4,5-ditert-butylthieno[2,3-c]pyrrole;methane with MolForge

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Launch Full Analysis

Related Compounds

tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene
CID 165007738
5-[6-[3-([1]Benzothiolo[3,2-b]pyridin-6-yl)-5-(10-thia-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-12-yl)phenyl]-[1]benzothiolo[3,2-b]pyridin-3-yl]-12-[3-[7-[12-(4-carbazol-9-ylphenyl)-10-thia-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaen-6-yl]dibenzofuran-2-yl]-5-dibenzofuran-2-ylphenyl]-10-thia-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 147375257
benzo[e][1]benzofuran;benzo[e][1]benzothiole;3H-benzo[e]indole;3H-cyclopenta[a]naphthalene;2H-naphthalen-2-ide;yttrium
CID 157055690
5-benzyl-7,7-dimethyl-10-pyridin-2-yl-9H-indeno[2,1-b]carbazol-9-ide;10,10-diethyl-6-phenyl-14-oxa-7-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;10,10-dimethyl-6-phenyl-14-thia-7-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;10,10-dimethyl-6-(4-propan-2-ylbenzene-6-id-1-yl)-14-oxa-7-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;tetrakis(iridium);5-methyl-2-phenylpyridine;tris(2-phenylpyridine)
CID 157099471
12-Dibenzofuran-3-yl-23-oxahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;15-dibenzothiophen-2-yl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(11,21-dioxaoctacyclo[15.15.0.02,14.04,12.05,10.018,30.020,28.022,27]dotriaconta-1(17),2,4(12),5,7,9,13,15,18,20(28),22,24,26,29,31-pentadecaen-32-yl)pyridine;9-(3,5-diphenylphenyl)-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)carbazole
CID 157132765
12-dibenzofuran-2-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-dibenzothiophen-4-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;4-[11-(3,5-diphenylphenyl)-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaen-12-yl]-N,N-diphenylaniline;12-(4-methoxyphenyl)-16-phenyl-7-thia-16-azahexacyclo[11.11.0.02,10.04,8.015,23.017,22]tetracosa-1,3,5,8,10,12,14,17,19,21,23-undecaene
CID 157136524
3-(20-dibenzofuran-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-yl)pyridine;9-phenyl-2-(17-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;N,N,21-triphenyl-20-(9-phenylcarbazol-3-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaen-17-amine
CID 157149241
12-dibenzofuran-2-yl-7-phenyl-23-thia-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;12-dibenzothiophen-4-yl-7-phenyl-23-thia-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;N,N-diphenyl-4-(7-phenyl-12-pyridin-3-yl-23-thia-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1(13),2(10),3,5,8,11,14,16(24),17,19,21-undecaen-11-yl)aniline
CID 157151859
12-Dibenzofuran-2-yl-5,16-diphenyl-5,16-diazahexacyclo[11.11.0.02,10.04,8.015,23.017,22]tetracosa-1,3,6,8,10,12,14,17,19,21,23-undecaene;12-dibenzothiophen-4-yl-5,11,16-triphenyl-5,16-diazahexacyclo[11.11.0.02,10.04,8.015,23.017,22]tetracosa-1(13),2(10),3,6,8,11,14,17,19,21,23-undecaene;5,22-diphenyl-12-pyridin-3-yl-5,22-diazahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,6,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-5,22-diphenyl-5,22-diazahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,6,8,10,12,14,16,18,20,23-undecaene
CID 157159270
15-(4-Methoxyphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;9-phenyl-4-(16-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;9-(20-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)carbazole
CID 157160202
4-(3,8-Diphenyl-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaen-14-yl)-11,14-diphenyl-13-thia-11,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,14-hexaene;11,14-diphenyl-6-(8-phenyl-3-pyridin-1-ium-1-yl-14-tetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaenyl)-13-thia-11,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,14-hexaene;4-(3-naphthalen-2-yl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaen-14-yl)-11,14-diphenyl-13-oxa-11,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,14-hexaene;4-(3-oxa-8-thiatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaen-14-yl)-11,14-diphenyl-13-oxa-11,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,14-hexaene
CID 157178403
17,23-dinaphthalen-2-yl-18,22-diphenyl-6,34-dioxanonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(21),2,4(16),5(13),7,9,11,14,17,19,22,24(36),25,27(35),28,30,32-heptadecaene;N,N-diphenyl-4-[19-[4-(N-phenylanilino)phenyl]-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl]aniline;7-(14,18-diphenyl-19-quinolin-7-yl-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(17),2,4(12),5(9),7,10,13,15,18,20(28),21,23(27),24-tridecaen-13-yl)quinoline;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline
CID 157318870

Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-1-benzofuran;5,6-ditert-butyl-2-benzofuran;5,6-ditert-butyl-1-benzothiophene;5,6-ditert-butyl-2-benzothiophene;2,3-ditert-butyl-4H-cyclopenta[c]pyrrole;4,5-ditert-butyl-2H-indene;5,6-ditert-butyl-2H-indene;1,2-ditert-butylindole;2,3-ditert-butyl-1H-indole;4,5-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole;6,7-ditert-butyl-1H-indole;2,3-ditert-butylindolizine;6,7-ditert-butylindolizine;7,8-ditert-butylindolizine;1,2-ditert-butylisoindole;2,3-ditert-butylthieno[3,2-b]furan;4,5-ditert-butylthieno[2,3-c]pyrrole;methane?
The IUPAC name of 5,6-ditert-butyl-1-benzofuran;5,6-ditert-butyl-2-benzofuran;5,6-ditert-butyl-1-benzothiophene;5,6-ditert-butyl-2-benzothiophene;2,3-ditert-butyl-4H-cyclopenta[c]pyrrole;4,5-ditert-butyl-2H-indene;5,6-ditert-butyl-2H-indene;1,2-ditert-butylindole;2,3-ditert-butyl-1H-indole;4,5-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole;6,7-ditert-butyl-1H-indole;2,3-ditert-butylindolizine;6,7-ditert-butylindolizine;7,8-ditert-butylindolizine;1,2-ditert-butylisoindole;2,3-ditert-butylthieno[3,2-b]furan;4,5-ditert-butylthieno[2,3-c]pyrrole;methane (CID 158851740) is 5,6-ditert-butyl-1-benzofuran;5,6-ditert-butyl-2-benzofuran;5,6-ditert-butyl-1-benzothiophene;5,6-ditert-butyl-2-benzothiophene;2,3-ditert-butyl-4H-cyclopenta[c]pyrrole;4,5-ditert-butyl-2H-indene;5,6-ditert-butyl-2H-indene;1,2-ditert-butylindole;2,3-ditert-butyl-1H-indole;4,5-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole;6,7-ditert-butyl-1H-indole;2,3-ditert-butylindolizine;6,7-ditert-butylindolizine;7,8-ditert-butylindolizine;1,2-ditert-butylisoindole;2,3-ditert-butylthieno[3,2-b]furan;4,5-ditert-butylthieno[2,3-c]pyrrole;methane.
What is the SMILES notation for 5,6-ditert-butyl-1-benzofuran;5,6-ditert-butyl-2-benzofuran;5,6-ditert-butyl-1-benzothiophene;5,6-ditert-butyl-2-benzothiophene;2,3-ditert-butyl-4H-cyclopenta[c]pyrrole;4,5-ditert-butyl-2H-indene;5,6-ditert-butyl-2H-indene;1,2-ditert-butylindole;2,3-ditert-butyl-1H-indole;4,5-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole;6,7-ditert-butyl-1H-indole;2,3-ditert-butylindolizine;6,7-ditert-butylindolizine;7,8-ditert-butylindolizine;1,2-ditert-butylisoindole;2,3-ditert-butylthieno[3,2-b]furan;4,5-ditert-butylthieno[2,3-c]pyrrole;methane?
The canonical SMILES for 5,6-ditert-butyl-1-benzofuran;5,6-ditert-butyl-2-benzofuran;5,6-ditert-butyl-1-benzothiophene;5,6-ditert-butyl-2-benzothiophene;2,3-ditert-butyl-4H-cyclopenta[c]pyrrole;4,5-ditert-butyl-2H-indene;5,6-ditert-butyl-2H-indene;1,2-ditert-butylindole;2,3-ditert-butyl-1H-indole;4,5-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole;6,7-ditert-butyl-1H-indole;2,3-ditert-butylindolizine;6,7-ditert-butylindolizine;7,8-ditert-butylindolizine;1,2-ditert-butylisoindole;2,3-ditert-butylthieno[3,2-b]furan;4,5-ditert-butylthieno[2,3-c]pyrrole;methane is C.C.C.CC(C)(C)c1[nH]c2ccccc2c1C(C)(C)C.CC(C)(C)c1c2c(cn1C(C)(C)C)C=CC2.CC(C)(C)c1c2ccccc2cn1C(C)(C)C.CC(C)(C)c1c2ccsc2cn1C(C)(C)C.CC(C)(C)c1cc2c(cc1C(C)(C)C)=CCC=2.CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)(C)c1cc2ccccc2n1C(C)(C)C.CC(C)(C)c1cc2ccccn2c1C(C)(C)C.CC(C)(C)c1cc2cccn2cc1C(C)(C)C.CC(C)(C)c1cc2ccoc2cc1C(C)(C)C.CC(C)(C)c1cc2ccsc2cc1C(C)(C)C.CC(C)(C)c1cc2cocc2cc1C(C)(C)C.CC(C)(C)c1cc2cscc2cc1C(C)(C)C.CC(C)(C)c1ccc2[nH]ccc2c1C(C)(C)C.CC(C)(C)c1ccc2c(c1C(C)(C)C)=CCC=2.CC(C)(C)c1ccc2cc[nH]c2c1C(C)(C)C.CC(C)(C)c1ccn2cccc2c1C(C)(C)C.CC(C)(C)c1oc2ccsc2c1C(C)(C)C.
What is the InChIKey of 5,6-ditert-butyl-1-benzofuran;5,6-ditert-butyl-2-benzofuran;5,6-ditert-butyl-1-benzothiophene;5,6-ditert-butyl-2-benzothiophene;2,3-ditert-butyl-4H-cyclopenta[c]pyrrole;4,5-ditert-butyl-2H-indene;5,6-ditert-butyl-2H-indene;1,2-ditert-butylindole;2,3-ditert-butyl-1H-indole;4,5-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole;6,7-ditert-butyl-1H-indole;2,3-ditert-butylindolizine;6,7-ditert-butylindolizine;7,8-ditert-butylindolizine;1,2-ditert-butylisoindole;2,3-ditert-butylthieno[3,2-b]furan;4,5-ditert-butylthieno[2,3-c]pyrrole;methane?
The InChIKey is IZNPTFGOWWACIB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H24.9C16H23N.2C16H22O.2C16H22S.C15H23N.C14H21NS.C14H20OS.3CH4/c1-16(2,3)14-10-12-8-7-9-13(12)11-15(14)17(4,5)6;1-16(2,3)14-11-10-12-8-7-9-13(12)15(14)17(4,5)6;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-15(2,3)12-7-8-13-11(9-10-17-13)14(12)16(4,5)6;1-15(2,3)12-8-7-11-9-10-17-14(11)13(12)16(4,5)6;1-15(2,3)12-9-11-17-10-7-8-13(17)14(12)16(4,5)6;1-15(2,3)13-10-12-8-7-9-17(12)11-14(13)16(4,5)6;1-15(2,3)13-11-12-9-7-8-10-17(12)14(13)16(4,5)6;1-15(2,3)14-13-10-8-7-9-12(13)11-17(14)16(4,5)6;1-15(2,3)14-11-12-9-7-8-10-13(12)17(14)16(4,5)6;1-15(2,3)13-11-9-7-8-10-12(11)17-14(13)16(4,5)6;1-15(2,3)13-7-11-9-17-10-12(11)8-14(13)16(4,5)6;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-15(2,3)13-7-11-9-17-10-12(11)8-14(13)16(4,5)6;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-14(2,3)13-12-9-7-8-11(12)10-16(13)15(4,5)6;1-13(2,3)12-10-7-8-16-11(10)9-15(12)14(4,5)6;1-13(2,3)10-11-9(7-8-16-11)15-12(10)14(4,5)6;;;/h2*8-11H,7H2,1-6H3;3*7-10,17H,1-6H3;5*7-11H,1-6H3;7-10,17H,1-6H3;4*7-10H,1-6H3;7-8,10H,9H2,1-6H3;7-9H,1-6H3;7-8H,1-6H3;3*1H4.
What are the key properties of 5,6-ditert-butyl-1-benzofuran;5,6-ditert-butyl-2-benzofuran;5,6-ditert-butyl-1-benzothiophene;5,6-ditert-butyl-2-benzothiophene;2,3-ditert-butyl-4H-cyclopenta[c]pyrrole;4,5-ditert-butyl-2H-indene;5,6-ditert-butyl-2H-indene;1,2-ditert-butylindole;2,3-ditert-butyl-1H-indole;4,5-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole;6,7-ditert-butyl-1H-indole;2,3-ditert-butylindolizine;6,7-ditert-butylindolizine;7,8-ditert-butylindolizine;1,2-ditert-butylisoindole;2,3-ditert-butylthieno[3,2-b]furan;4,5-ditert-butylthieno[2,3-c]pyrrole;methane?
5,6-ditert-butyl-1-benzofuran;5,6-ditert-butyl-2-benzofuran;5,6-ditert-butyl-1-benzothiophene;5,6-ditert-butyl-2-benzothiophene;2,3-ditert-butyl-4H-cyclopenta[c]pyrrole;4,5-ditert-butyl-2H-indene;5,6-ditert-butyl-2H-indene;1,2-ditert-butylindole;2,3-ditert-butyl-1H-indole;4,5-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole;6,7-ditert-butyl-1H-indole;2,3-ditert-butylindolizine;6,7-ditert-butylindolizine;7,8-ditert-butylindolizine;1,2-ditert-butylisoindole;2,3-ditert-butylthieno[3,2-b]furan;4,5-ditert-butylthieno[2,3-c]pyrrole;methane has a molecular weight of 4211.86 g/mol, XLogP of 85.45, 0 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-1-benzofuran;5,6-ditert-butyl-2-benzofuran;5,6-ditert-butyl-1-benzothiophene;5,6-ditert-butyl-2-benzothiophene;2,3-ditert-butyl-4H-cyclopenta[c]pyrrole;4,5-ditert-butyl-2H-indene;5,6-ditert-butyl-2H-indene;1,2-ditert-butylindole;2,3-ditert-butyl-1H-indole;4,5-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole;6,7-ditert-butyl-1H-indole;2,3-ditert-butylindolizine;6,7-ditert-butylindolizine;7,8-ditert-butylindolizine;1,2-ditert-butylisoindole;2,3-ditert-butylthieno[3,2-b]furan;4,5-ditert-butylthieno[2,3-c]pyrrole;methane is sourced from PubChem (CID 158851740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).