About 6,17-bis(5-butylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-decylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-decylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-hexylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(3-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
6,17-bis(5-butylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-decylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-decylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-hexylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(3-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene (PubChem CID 159588824) has the molecular formula C286H312N14O6S4
and a molecular weight of 4170.00 g/mol. Its IUPAC name is 6,17-bis(5-butylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-decylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-decylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-hexylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(3-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene.
Frequently Asked Questions
What is the IUPAC name of 6,17-bis(5-butylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-decylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-decylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-hexylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(3-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene?
The IUPAC name of 6,17-bis(5-butylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-decylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-decylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-hexylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(3-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene (CID 159588824) is 6,17-bis(5-butylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-decylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-decylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-hexylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(3-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene.
What is the SMILES notation for 6,17-bis(5-butylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-decylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-decylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-hexylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(3-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene?
The canonical SMILES for 6,17-bis(5-butylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-decylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-decylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-hexylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(3-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene is CCCCCCCCCCc1ccc(-n2ccc3c4ccc5c(ccc6c5ccn6-c5ccc(CCCCCCCCCC)o5)c4ccc32)o1.CCCCCCCCCCc1csc(-n2ccc3c4ccc5c(ccc6c5ccn6-c5cc(CCCCCCCCCC)cs5)c4ccc32)c1.CCCCCCc1ccc(-n2ccc3c4ccc5c(ccc6c5ccn6-c5ccc(CCCCCC)cc5)c4ccc32)cc1.CCCCCCc1ccc(-n2ccc3c4ccc5c(ccc6c5ccn6-c5ccc(CCCCCC)o5)c4ccc32)o1.CCCCCCc1cccc(-n2ccc3c4ccc5c(ccc6c5ccn6-c5cccc(CCCCCC)c5)c4ccc32)c1.CCCCCCc1csc(-n2ccc3c4ccc5c(ccc6c5ccn6-c5cc(CCCCCC)cs5)c4ccc32)c1.CCCCc1ccc(-n2ccc3c4ccc5c(ccc6c5ccn6-c5ccc(CCCC)o5)c4ccc32)o1.
What is the InChIKey of 6,17-bis(5-butylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-decylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-decylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-hexylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(3-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene?
The InChIKey is MJYYUXUFLAFLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H56N2O2.C46H56N2S2.2C42H44N2.C38H40N2O2.C38H40N2S2.C34H32N2O2/c1-3-5-7-9-11-13-15-17-19-35-21-29-45(49-35)47-33-31-41-39-23-24-40-38(37(39)25-27-43(41)47)26-28-44-42(40)32-34-48(44)46-30-22-36(50-46)20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-35-31-45(49-33-35)47-29-27-41-39-21-22-40-38(37(39)23-25-43(41)47)24-26-44-42(40)28-30-48(44)46-32-36(34-50-46)20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-13-31-15-11-17-33(29-31)43-27-25-39-37-19-20-38-36(35(37)21-23-41(39)43)22-24-42-40(38)26-28-44(42)34-18-12-16-32(30-34)14-10-8-6-4-2;1-3-5-7-9-11-31-13-17-33(18-14-31)43-29-27-39-37-21-22-38-36(35(37)23-25-41(39)43)24-26-42-40(38)28-30-44(42)34-19-15-32(16-20-34)12-10-8-6-4-2;1-3-5-7-9-11-27-13-21-37(41-27)39-25-23-33-31-15-16-32-30(29(31)17-19-35(33)39)18-20-36-34(32)24-26-40(36)38-22-14-28(42-38)12-10-8-6-4-2;1-3-5-7-9-11-27-23-37(41-25-27)39-21-19-33-31-13-14-32-30(29(31)15-17-35(33)39)16-18-36-34(32)20-22-40(36)38-24-28(26-42-38)12-10-8-6-4-2;1-3-5-7-23-9-17-33(37-23)35-21-19-29-27-11-12-28-26(25(27)13-15-31(29)35)14-16-32-30(28)20-22-36(32)34-18-10-24(38-34)8-6-4-2/h2*21-34H,3-20H2,1-2H3;11-12,15-30H,3-10,13-14H2,1-2H3;13-30H,3-12H2,1-2H3;2*13-26H,3-12H2,1-2H3;9-22H,3-8H2,1-2H3.
What are the key properties of 6,17-bis(5-butylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-decylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-decylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-hexylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(3-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene?
6,17-bis(5-butylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-decylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-decylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-hexylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(3-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene has a molecular weight of 4170.00 g/mol, XLogP of 87.37, 96 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6,17-bis(5-butylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-decylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-decylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(5-hexylfuran-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(3-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylphenyl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene;6,17-bis(4-hexylthiophen-2-yl)-6,17-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene is sourced from PubChem (CID 159588824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).