2,3-ditert-butyl-4H-cyclopenta[b]furan;5,6-ditert-butyl-4H-cyclopenta[b]furan;2,3-ditert-butyl-4H-cyclopenta[b]thiophene;5,6-ditert-butyl-4H-cyclopenta[b]thiophene;4,5-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-2,3-dihydro-1,3-benzoxazole;6,7-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-1,4-dihydrocyclopenta[b]pyrrole;4,5-ditert-butyl-2,3-dihydro-1H-indole;4,6-ditert-butyl-2,3-dihydro-1H-indole;tris(5,6-ditert-butyl-2,3-dihydro-1H-indole);6,7-ditert-butyl-2,3-dihydro-1H-indole

C216H330N10O5S2 — CID 159148643

IUPAC2,3-ditert-butyl-4H-cyclopenta[b]furan;5,6-ditert-butyl-4H-cyclopenta[b]furan;2,3-ditert-butyl-4H-cyclopenta[b]thiophene;5,6-ditert-butyl-4H-cyclopenta[b]thiophene;4,5-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-2,3-dihydro-1,3-benzoxazole;6,7-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-1,4-dihydrocyclopenta[b]pyrrole;4,5-ditert-butyl-2,3-dihydro-1H-indole;4,6-ditert-butyl-2,3-dihydro-1H-indole;tris(5,6-ditert-butyl-2,3-dihydro-1H-indole);6,7-ditert-butyl-2,3-dihydro-1H-indole
SMILESCC(C)(C)C1=C(C(C)(C)C)c2[nH]ccc2C1.CC(C)(C)C1=C(C(C)(C)C)c2occc2C1.CC(C)(C)C1=C(C(C)(C)C)c2sccc2C1.CC(C)(C)c1cc2c(c(C(C)(C)C)c1)CCN2.CC(C)(C)c1cc2c(cc1C(C)(C)C)NCC2.CC(C)(C)c1cc2c(cc1C(C)(C)C)NCC2.CC(C)(C)c1cc2c(cc1C(C)(C)C)NCC2.CC(C)(C)c1cc2c(cc1C(C)(C)C)OCN2.CC(C)(C)c1ccc2c(c1C(C)(C)C)CCN2.CC(C)(C)c1ccc2c(c1C(C)(C)C)NCC2.CC(C)(C)c1ccc2c(c1C(C)(C)C)NCO2.CC(C)(C)c1ccc2c(c1C(C)(C)C)OCN2.CC(C)(C)c1oc2c(c1C(C)(C)C)CC=C2.CC(C)(C)c1sc2c(c1C(C)(C)C)CC=C2
InChIInChI=1S/6C16H25N.3C15H23NO.C15H23N.2C15H22O.2C15H22S/c1-15(2,3)11-9-13(16(4,5)6)12-7-8-17-14(12)10-11;3*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;1-14(2,3)10-7-12-13(17-9-16-12)8-11(10)15(4,5)6;1-14(2,3)10-7-8-11-13(16-9-17-11)12(10)15(4,5)6;1-14(2,3)10-7-8-11-13(17-9-16-11)12(10)15(4,5)6;2*1-14(2,3)11-9-10-7-8-16-13(10)12(11)15(4,5)6;1-14(2,3)12-10-8-7-9-11(10)16-13(12)15(4,5)6;1-14(2,3)11-9-10-7-8-16-13(10)12(11)15(4,5)6;1-14(2,3)12-10-8-7-9-11(10)16-13(12)15(4,5)6/h4*9-10,17H,7-8H2,1-6H3;2*7-8,17H,9-10H2,1-6H3;3*7-8,16H,9H2,1-6H3;7-8,16H,9H2,1-6H3;7-8H,9H2,1-6H3;7,9H,8H2,1-6H3;7-8H,9H2,1-6H3;7,9H,8H2,1-6H3
InChIKeyKIZOMOPSYJIMBI-UHFFFAOYSA-N
MW3211.21 g/mol
LogP61.23
Rot. Bonds

About 2,3-ditert-butyl-4H-cyclopenta[b]furan;5,6-ditert-butyl-4H-cyclopenta[b]furan;2,3-ditert-butyl-4H-cyclopenta[b]thiophene;5,6-ditert-butyl-4H-cyclopenta[b]thiophene;4,5-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-2,3-dihydro-1,3-benzoxazole;6,7-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-1,4-dihydrocyclopenta[b]pyrrole;4,5-ditert-butyl-2,3-dihydro-1H-indole;4,6-ditert-butyl-2,3-dihydro-1H-indole;tris(5,6-ditert-butyl-2,3-dihydro-1H-indole);6,7-ditert-butyl-2,3-dihydro-1H-indole

2,3-ditert-butyl-4H-cyclopenta[b]furan;5,6-ditert-butyl-4H-cyclopenta[b]furan;2,3-ditert-butyl-4H-cyclopenta[b]thiophene;5,6-ditert-butyl-4H-cyclopenta[b]thiophene;4,5-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-2,3-dihydro-1,3-benzoxazole;6,7-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-1,4-dihydrocyclopenta[b]pyrrole;4,5-ditert-butyl-2,3-dihydro-1H-indole;4,6-ditert-butyl-2,3-dihydro-1H-indole;tris(5,6-ditert-butyl-2,3-dihydro-1H-indole);6,7-ditert-butyl-2,3-dihydro-1H-indole (PubChem CID 159148643) has the molecular formula C216H330N10O5S2 and a molecular weight of 3211.21 g/mol. Its IUPAC name is 2,3-ditert-butyl-4H-cyclopenta[b]furan;5,6-ditert-butyl-4H-cyclopenta[b]furan;2,3-ditert-butyl-4H-cyclopenta[b]thiophene;5,6-ditert-butyl-4H-cyclopenta[b]thiophene;4,5-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-2,3-dihydro-1,3-benzoxazole;6,7-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-1,4-dihydrocyclopenta[b]pyrrole;4,5-ditert-butyl-2,3-dihydro-1H-indole;4,6-ditert-butyl-2,3-dihydro-1H-indole;tris(5,6-ditert-butyl-2,3-dihydro-1H-indole);6,7-ditert-butyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2,3-ditert-butyl-4H-cyclopenta[b]furan;5,6-ditert-butyl-4H-cyclopenta[b]furan;2,3-ditert-butyl-4H-cyclopenta[b]thiophene;5,6-ditert-butyl-4H-cyclopenta[b]thiophene;4,5-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-2,3-dihydro-1,3-benzoxazole;6,7-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-1,4-dihydrocyclopenta[b]pyrrole;4,5-ditert-butyl-2,3-dihydro-1H-indole;4,6-ditert-butyl-2,3-dihydro-1H-indole;tris(5,6-ditert-butyl-2,3-dihydro-1H-indole);6,7-ditert-butyl-2,3-dihydro-1H-indole
PubChem CID159148643
Molecular FormulaC216H330N10O5S2
Molecular Weight3211.21 g/mol
Exact Mass3208.53
IUPAC Name2,3-ditert-butyl-4H-cyclopenta[b]furan;5,6-ditert-butyl-4H-cyclopenta[b]furan;2,3-ditert-butyl-4H-cyclopenta[b]thiophene;5,6-ditert-butyl-4H-cyclopenta[b]thiophene;4,5-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-2,3-dihydro-1,3-benzoxazole;6,7-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-1,4-dihydrocyclopenta[b]pyrrole;4,5-ditert-butyl-2,3-dihydro-1H-indole;4,6-ditert-butyl-2,3-dihydro-1H-indole;tris(5,6-ditert-butyl-2,3-dihydro-1H-indole);6,7-ditert-butyl-2,3-dihydro-1H-indole
SMILESCC(C)(C)C1=C(C(C)(C)C)c2[nH]ccc2C1.CC(C)(C)C1=C(C(C)(C)C)c2occc2C1.CC(C)(C)C1=C(C(C)(C)C)c2sccc2C1.CC(C)(C)c1cc2c(c(C(C)(C)C)c1)CCN2.CC(C)(C)c1cc2c(cc1C(C)(C)C)NCC2.CC(C)(C)c1cc2c(cc1C(C)(C)C)NCC2.CC(C)(C)c1cc2c(cc1C(C)(C)C)NCC2.CC(C)(C)c1cc2c(cc1C(C)(C)C)OCN2.CC(C)(C)c1ccc2c(c1C(C)(C)C)CCN2.CC(C)(C)c1ccc2c(c1C(C)(C)C)NCC2.CC(C)(C)c1ccc2c(c1C(C)(C)C)NCO2.CC(C)(C)c1ccc2c(c1C(C)(C)C)OCN2.CC(C)(C)c1oc2c(c1C(C)(C)C)CC=C2.CC(C)(C)c1sc2c(c1C(C)(C)C)CC=C2
InChIInChI=1S/6C16H25N.3C15H23NO.C15H23N.2C15H22O.2C15H22S/c1-15(2,3)11-9-13(16(4,5)6)12-7-8-17-14(12)10-11;3*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;1-14(2,3)10-7-12-13(17-9-16-12)8-11(10)15(4,5)6;1-14(2,3)10-7-8-11-13(16-9-17-11)12(10)15(4,5)6;1-14(2,3)10-7-8-11-13(17-9-16-11)12(10)15(4,5)6;2*1-14(2,3)11-9-10-7-8-16-13(10)12(11)15(4,5)6;1-14(2,3)12-10-8-7-9-11(10)16-13(12)15(4,5)6;1-14(2,3)11-9-10-7-8-16-13(10)12(11)15(4,5)6;1-14(2,3)12-10-8-7-9-11(10)16-13(12)15(4,5)6/h4*9-10,17H,7-8H2,1-6H3;2*7-8,17H,9-10H2,1-6H3;3*7-8,16H,9H2,1-6H3;7-8,16H,9H2,1-6H3;7-8H,9H2,1-6H3;7,9H,8H2,1-6H3;7-8H,9H2,1-6H3;7,9H,8H2,1-6H3
InChIKeyKIZOMOPSYJIMBI-UHFFFAOYSA-N
XLogP61.23
TPSA178.03 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003211.21
LogP ≤ 561.23
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Analyze 2,3-ditert-butyl-4H-cyclopenta[b]furan;5,6-ditert-butyl-4H-cyclopenta[b]furan;2,3-ditert-butyl-4H-cyclopenta[b]thiophene;5,6-ditert-butyl-4H-cyclopenta[b]thiophene;4,5-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-2,3-dihydro-1,3-benzoxazole;6,7-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-1,4-dihydrocyclopenta[b]pyrrole;4,5-ditert-butyl-2,3-dihydro-1H-indole;4,6-ditert-butyl-2,3-dihydro-1H-indole;tris(5,6-ditert-butyl-2,3-dihydro-1H-indole);6,7-ditert-butyl-2,3-dihydro-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 158835435
4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene
CID 159644134
2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 160698116
1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 123653830
4-(1-benzofuran-2-yl)-3,3-bis(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-5-(1H-pyrrol-2-yl)indole
CID 141303198
benzo[e][1]benzofuran;benzo[e][1]benzothiole;3H-benzo[e]indole;3H-cyclopenta[a]naphthalene;2H-naphthalen-2-ide;yttrium
CID 157055690
4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole
CID 157100858
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
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
tert-butylbenzene;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-1-benzothiophene;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 157342503
benzo[e][1]benzofuran;benzo[e][1]benzothiole;3H-benzo[e]indole;3H-cyclopenta[a]naphthalene;1,2-dihydrobenzo[e][1]benzofuran;1,2-dihydrobenzo[e][1]benzothiole;2,3-dihydro-1H-benzo[e]indole;2,3-dihydro-1H-cyclopenta[a]naphthalene;2H-naphthalen-2-ide;phenanthrene;yttrium
CID 157394767
4-Methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;7-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;7-methyl-1,3-benzoxazole
CID 157418947

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-4H-cyclopenta[b]furan;5,6-ditert-butyl-4H-cyclopenta[b]furan;2,3-ditert-butyl-4H-cyclopenta[b]thiophene;5,6-ditert-butyl-4H-cyclopenta[b]thiophene;4,5-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-2,3-dihydro-1,3-benzoxazole;6,7-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-1,4-dihydrocyclopenta[b]pyrrole;4,5-ditert-butyl-2,3-dihydro-1H-indole;4,6-ditert-butyl-2,3-dihydro-1H-indole;tris(5,6-ditert-butyl-2,3-dihydro-1H-indole);6,7-ditert-butyl-2,3-dihydro-1H-indole?
The IUPAC name of 2,3-ditert-butyl-4H-cyclopenta[b]furan;5,6-ditert-butyl-4H-cyclopenta[b]furan;2,3-ditert-butyl-4H-cyclopenta[b]thiophene;5,6-ditert-butyl-4H-cyclopenta[b]thiophene;4,5-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-2,3-dihydro-1,3-benzoxazole;6,7-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-1,4-dihydrocyclopenta[b]pyrrole;4,5-ditert-butyl-2,3-dihydro-1H-indole;4,6-ditert-butyl-2,3-dihydro-1H-indole;tris(5,6-ditert-butyl-2,3-dihydro-1H-indole);6,7-ditert-butyl-2,3-dihydro-1H-indole (CID 159148643) is 2,3-ditert-butyl-4H-cyclopenta[b]furan;5,6-ditert-butyl-4H-cyclopenta[b]furan;2,3-ditert-butyl-4H-cyclopenta[b]thiophene;5,6-ditert-butyl-4H-cyclopenta[b]thiophene;4,5-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-2,3-dihydro-1,3-benzoxazole;6,7-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-1,4-dihydrocyclopenta[b]pyrrole;4,5-ditert-butyl-2,3-dihydro-1H-indole;4,6-ditert-butyl-2,3-dihydro-1H-indole;tris(5,6-ditert-butyl-2,3-dihydro-1H-indole);6,7-ditert-butyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2,3-ditert-butyl-4H-cyclopenta[b]furan;5,6-ditert-butyl-4H-cyclopenta[b]furan;2,3-ditert-butyl-4H-cyclopenta[b]thiophene;5,6-ditert-butyl-4H-cyclopenta[b]thiophene;4,5-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-2,3-dihydro-1,3-benzoxazole;6,7-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-1,4-dihydrocyclopenta[b]pyrrole;4,5-ditert-butyl-2,3-dihydro-1H-indole;4,6-ditert-butyl-2,3-dihydro-1H-indole;tris(5,6-ditert-butyl-2,3-dihydro-1H-indole);6,7-ditert-butyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2,3-ditert-butyl-4H-cyclopenta[b]furan;5,6-ditert-butyl-4H-cyclopenta[b]furan;2,3-ditert-butyl-4H-cyclopenta[b]thiophene;5,6-ditert-butyl-4H-cyclopenta[b]thiophene;4,5-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-2,3-dihydro-1,3-benzoxazole;6,7-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-1,4-dihydrocyclopenta[b]pyrrole;4,5-ditert-butyl-2,3-dihydro-1H-indole;4,6-ditert-butyl-2,3-dihydro-1H-indole;tris(5,6-ditert-butyl-2,3-dihydro-1H-indole);6,7-ditert-butyl-2,3-dihydro-1H-indole is CC(C)(C)C1=C(C(C)(C)C)c2[nH]ccc2C1.CC(C)(C)C1=C(C(C)(C)C)c2occc2C1.CC(C)(C)C1=C(C(C)(C)C)c2sccc2C1.CC(C)(C)c1cc2c(c(C(C)(C)C)c1)CCN2.CC(C)(C)c1cc2c(cc1C(C)(C)C)NCC2.CC(C)(C)c1cc2c(cc1C(C)(C)C)NCC2.CC(C)(C)c1cc2c(cc1C(C)(C)C)NCC2.CC(C)(C)c1cc2c(cc1C(C)(C)C)OCN2.CC(C)(C)c1ccc2c(c1C(C)(C)C)CCN2.CC(C)(C)c1ccc2c(c1C(C)(C)C)NCC2.CC(C)(C)c1ccc2c(c1C(C)(C)C)NCO2.CC(C)(C)c1ccc2c(c1C(C)(C)C)OCN2.CC(C)(C)c1oc2c(c1C(C)(C)C)CC=C2.CC(C)(C)c1sc2c(c1C(C)(C)C)CC=C2.
What is the InChIKey of 2,3-ditert-butyl-4H-cyclopenta[b]furan;5,6-ditert-butyl-4H-cyclopenta[b]furan;2,3-ditert-butyl-4H-cyclopenta[b]thiophene;5,6-ditert-butyl-4H-cyclopenta[b]thiophene;4,5-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-2,3-dihydro-1,3-benzoxazole;6,7-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-1,4-dihydrocyclopenta[b]pyrrole;4,5-ditert-butyl-2,3-dihydro-1H-indole;4,6-ditert-butyl-2,3-dihydro-1H-indole;tris(5,6-ditert-butyl-2,3-dihydro-1H-indole);6,7-ditert-butyl-2,3-dihydro-1H-indole?
The InChIKey is KIZOMOPSYJIMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/6C16H25N.3C15H23NO.C15H23N.2C15H22O.2C15H22S/c1-15(2,3)11-9-13(16(4,5)6)12-7-8-17-14(12)10-11;3*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;1-14(2,3)10-7-12-13(17-9-16-12)8-11(10)15(4,5)6;1-14(2,3)10-7-8-11-13(16-9-17-11)12(10)15(4,5)6;1-14(2,3)10-7-8-11-13(17-9-16-11)12(10)15(4,5)6;2*1-14(2,3)11-9-10-7-8-16-13(10)12(11)15(4,5)6;1-14(2,3)12-10-8-7-9-11(10)16-13(12)15(4,5)6;1-14(2,3)11-9-10-7-8-16-13(10)12(11)15(4,5)6;1-14(2,3)12-10-8-7-9-11(10)16-13(12)15(4,5)6/h4*9-10,17H,7-8H2,1-6H3;2*7-8,17H,9-10H2,1-6H3;3*7-8,16H,9H2,1-6H3;7-8,16H,9H2,1-6H3;7-8H,9H2,1-6H3;7,9H,8H2,1-6H3;7-8H,9H2,1-6H3;7,9H,8H2,1-6H3.
What are the key properties of 2,3-ditert-butyl-4H-cyclopenta[b]furan;5,6-ditert-butyl-4H-cyclopenta[b]furan;2,3-ditert-butyl-4H-cyclopenta[b]thiophene;5,6-ditert-butyl-4H-cyclopenta[b]thiophene;4,5-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-2,3-dihydro-1,3-benzoxazole;6,7-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-1,4-dihydrocyclopenta[b]pyrrole;4,5-ditert-butyl-2,3-dihydro-1H-indole;4,6-ditert-butyl-2,3-dihydro-1H-indole;tris(5,6-ditert-butyl-2,3-dihydro-1H-indole);6,7-ditert-butyl-2,3-dihydro-1H-indole?
2,3-ditert-butyl-4H-cyclopenta[b]furan;5,6-ditert-butyl-4H-cyclopenta[b]furan;2,3-ditert-butyl-4H-cyclopenta[b]thiophene;5,6-ditert-butyl-4H-cyclopenta[b]thiophene;4,5-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-2,3-dihydro-1,3-benzoxazole;6,7-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-1,4-dihydrocyclopenta[b]pyrrole;4,5-ditert-butyl-2,3-dihydro-1H-indole;4,6-ditert-butyl-2,3-dihydro-1H-indole;tris(5,6-ditert-butyl-2,3-dihydro-1H-indole);6,7-ditert-butyl-2,3-dihydro-1H-indole has a molecular weight of 3211.21 g/mol, XLogP of 61.23, 0 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-4H-cyclopenta[b]furan;5,6-ditert-butyl-4H-cyclopenta[b]furan;2,3-ditert-butyl-4H-cyclopenta[b]thiophene;5,6-ditert-butyl-4H-cyclopenta[b]thiophene;4,5-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-2,3-dihydro-1,3-benzoxazole;6,7-ditert-butyl-2,3-dihydro-1,3-benzoxazole;5,6-ditert-butyl-1,4-dihydrocyclopenta[b]pyrrole;4,5-ditert-butyl-2,3-dihydro-1H-indole;4,6-ditert-butyl-2,3-dihydro-1H-indole;tris(5,6-ditert-butyl-2,3-dihydro-1H-indole);6,7-ditert-butyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 159148643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).