4-([1]benzofuro[2,3-b]pyridin-2-yl)-3,5-dimethyl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[2,3-c]pyridin-7-yl)-3-methyl-12-oxa-5,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[3,2-c]pyridin-7-yl)-5-methyl-12-oxa-3,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene

C150H91N21O9+8 — CID 157485995

IUPAC4-([1]benzofuro[2,3-b]pyridin-2-yl)-3,5-dimethyl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[2,3-c]pyridin-7-yl)-3-methyl-12-oxa-5,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[3,2-c]pyridin-7-yl)-5-methyl-12-oxa-3,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
SMILESCc1c(-c2ccc3c(c2)oc2cccnc23)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1c(-c2ccc3c(c2)oc2ccncc23)n[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1c(-c2ccc3c(c2)oc2cnccc23)nn2[n+]1C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13.Cc1c(-c2ccc3c(n2)oc2ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2Oc2cccc[n+]21)O3
InChIInChI=1S/C40H25N5O2.2C38H22N6O2.C34H22N4O3/c1-22-35(24-15-16-27-33(21-24)47-32-13-8-19-41-38(27)32)23(2)45-40-36-29(44(22)45)11-7-12-30(36)46-31-18-17-26-25-9-3-4-10-28(25)43(39(26)37(31)40)34-14-5-6-20-42(34)40;1-21-36(22-12-13-24-25-16-17-39-20-32(25)46-31(24)19-22)40-44-28-9-6-10-29-34(28)38(43(21)44)35-30(45-29)15-14-26-23-7-2-3-8-27(23)42(37(26)35)33-11-4-5-18-41(33)38;1-21-36(22-12-13-24-26-20-39-17-16-29(26)45-32(24)19-22)40-44-38-34-28(43(21)44)9-6-10-30(34)46-31-15-14-25-23-7-2-3-8-27(23)42(37(25)35(31)38)33-11-4-5-18-41(33)38;1-19-30(23-17-16-22-21-9-3-4-11-25(21)41-33(22)35-23)20(2)38-34-31-24(37(19)38)10-7-12-26(31)39-27-13-8-14-28(32(27)34)40-29-15-5-6-18-36(29)34/h3-21H,1-2H3;2*2-20H,1H3;3-18H,1-2H3/q4*+2
InChIKeyVIBIQZPZAZRGFP-UHFFFAOYSA-N
MW2331.52 g/mol
LogP27.90
Rot. Bonds4

About 4-([1]benzofuro[2,3-b]pyridin-2-yl)-3,5-dimethyl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[2,3-c]pyridin-7-yl)-3-methyl-12-oxa-5,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[3,2-c]pyridin-7-yl)-5-methyl-12-oxa-3,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene

4-([1]benzofuro[2,3-b]pyridin-2-yl)-3,5-dimethyl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[2,3-c]pyridin-7-yl)-3-methyl-12-oxa-5,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[3,2-c]pyridin-7-yl)-5-methyl-12-oxa-3,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene (PubChem CID 157485995) has the molecular formula C150H91N21O9+8 and a molecular weight of 2331.52 g/mol. Its IUPAC name is 4-([1]benzofuro[2,3-b]pyridin-2-yl)-3,5-dimethyl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[2,3-c]pyridin-7-yl)-3-methyl-12-oxa-5,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[3,2-c]pyridin-7-yl)-5-methyl-12-oxa-3,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene.

Molecular Properties

Compound Name4-([1]benzofuro[2,3-b]pyridin-2-yl)-3,5-dimethyl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[2,3-c]pyridin-7-yl)-3-methyl-12-oxa-5,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[3,2-c]pyridin-7-yl)-5-methyl-12-oxa-3,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
PubChem CID157485995
Molecular FormulaC150H91N21O9+8
Molecular Weight2331.52 g/mol
Exact Mass2329.73
IUPAC Name4-([1]benzofuro[2,3-b]pyridin-2-yl)-3,5-dimethyl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[2,3-c]pyridin-7-yl)-3-methyl-12-oxa-5,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[3,2-c]pyridin-7-yl)-5-methyl-12-oxa-3,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
SMILESCc1c(-c2ccc3c(c2)oc2cccnc23)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1c(-c2ccc3c(c2)oc2ccncc23)n[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1c(-c2ccc3c(c2)oc2cnccc23)nn2[n+]1C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13.Cc1c(-c2ccc3c(n2)oc2ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2Oc2cccc[n+]21)O3
InChIInChI=1S/C40H25N5O2.2C38H22N6O2.C34H22N4O3/c1-22-35(24-15-16-27-33(21-24)47-32-13-8-19-41-38(27)32)23(2)45-40-36-29(44(22)45)11-7-12-30(36)46-31-18-17-26-25-9-3-4-10-28(25)43(39(26)37(31)40)34-14-5-6-20-42(34)40;1-21-36(22-12-13-24-25-16-17-39-20-32(25)46-31(24)19-22)40-44-28-9-6-10-29-34(28)38(43(21)44)35-30(45-29)15-14-26-23-7-2-3-8-27(23)42(37(26)35)33-11-4-5-18-41(33)38;1-21-36(22-12-13-24-26-20-39-17-16-29(26)45-32(24)19-22)40-44-38-34-28(43(21)44)9-6-10-30(34)46-31-15-14-25-23-7-2-3-8-27(23)42(37(25)35(31)38)33-11-4-5-18-41(33)38;1-19-30(23-17-16-22-21-9-3-4-11-25(21)41-33(22)35-23)20(2)38-34-31-24(37(19)38)10-7-12-26(31)39-27-13-8-14-28(32(27)34)40-29-15-5-6-18-36(29)34/h3-21H,1-2H3;2*2-20H,1H3;3-18H,1-2H3/q4*+2
InChIKeyVIBIQZPZAZRGFP-UHFFFAOYSA-N
XLogP27.90
TPSA241.60 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds4
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002331.52
LogP ≤ 527.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-([1]benzofuro[2,3-b]pyridin-2-yl)-3,5-dimethyl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[2,3-c]pyridin-7-yl)-3-methyl-12-oxa-5,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[3,2-c]pyridin-7-yl)-5-methyl-12-oxa-3,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[2,3-b]pyridin-2-yl)-3,5-dimethyl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[2,3-c]pyridin-7-yl)-3-methyl-12-oxa-5,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[3,2-c]pyridin-7-yl)-5-methyl-12-oxa-3,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?
The IUPAC name of 4-([1]benzofuro[2,3-b]pyridin-2-yl)-3,5-dimethyl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[2,3-c]pyridin-7-yl)-3-methyl-12-oxa-5,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[3,2-c]pyridin-7-yl)-5-methyl-12-oxa-3,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene (CID 157485995) is 4-([1]benzofuro[2,3-b]pyridin-2-yl)-3,5-dimethyl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[2,3-c]pyridin-7-yl)-3-methyl-12-oxa-5,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[3,2-c]pyridin-7-yl)-5-methyl-12-oxa-3,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene.
What is the SMILES notation for 4-([1]benzofuro[2,3-b]pyridin-2-yl)-3,5-dimethyl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[2,3-c]pyridin-7-yl)-3-methyl-12-oxa-5,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[3,2-c]pyridin-7-yl)-5-methyl-12-oxa-3,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?
The canonical SMILES for 4-([1]benzofuro[2,3-b]pyridin-2-yl)-3,5-dimethyl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[2,3-c]pyridin-7-yl)-3-methyl-12-oxa-5,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[3,2-c]pyridin-7-yl)-5-methyl-12-oxa-3,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene is Cc1c(-c2ccc3c(c2)oc2cccnc23)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1c(-c2ccc3c(c2)oc2ccncc23)n[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1c(-c2ccc3c(c2)oc2cnccc23)nn2[n+]1C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13.Cc1c(-c2ccc3c(n2)oc2ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2Oc2cccc[n+]21)O3.
What is the InChIKey of 4-([1]benzofuro[2,3-b]pyridin-2-yl)-3,5-dimethyl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[2,3-c]pyridin-7-yl)-3-methyl-12-oxa-5,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[3,2-c]pyridin-7-yl)-5-methyl-12-oxa-3,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?
The InChIKey is VIBIQZPZAZRGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5O2.2C38H22N6O2.C34H22N4O3/c1-22-35(24-15-16-27-33(21-24)47-32-13-8-19-41-38(27)32)23(2)45-40-36-29(44(22)45)11-7-12-30(36)46-31-18-17-26-25-9-3-4-10-28(25)43(39(26)37(31)40)34-14-5-6-20-42(34)40;1-21-36(22-12-13-24-25-16-17-39-20-32(25)46-31(24)19-22)40-44-28-9-6-10-29-34(28)38(43(21)44)35-30(45-29)15-14-26-23-7-2-3-8-27(23)42(37(26)35)33-11-4-5-18-41(33)38;1-21-36(22-12-13-24-26-20-39-17-16-29(26)45-32(24)19-22)40-44-38-34-28(43(21)44)9-6-10-30(34)46-31-15-14-25-23-7-2-3-8-27(23)42(37(25)35(31)38)33-11-4-5-18-41(33)38;1-19-30(23-17-16-22-21-9-3-4-11-25(21)41-33(22)35-23)20(2)38-34-31-24(37(19)38)10-7-12-26(31)39-27-13-8-14-28(32(27)34)40-29-15-5-6-18-36(29)34/h3-21H,1-2H3;2*2-20H,1H3;3-18H,1-2H3/q4*+2.
What are the key properties of 4-([1]benzofuro[2,3-b]pyridin-2-yl)-3,5-dimethyl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[2,3-c]pyridin-7-yl)-3-methyl-12-oxa-5,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[3,2-c]pyridin-7-yl)-5-methyl-12-oxa-3,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?
4-([1]benzofuro[2,3-b]pyridin-2-yl)-3,5-dimethyl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[2,3-c]pyridin-7-yl)-3-methyl-12-oxa-5,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[3,2-c]pyridin-7-yl)-5-methyl-12-oxa-3,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene has a molecular weight of 2331.52 g/mol, XLogP of 27.90, 4 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[2,3-b]pyridin-2-yl)-3,5-dimethyl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[2,3-c]pyridin-7-yl)-3-methyl-12-oxa-5,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-([1]benzofuro[3,2-c]pyridin-7-yl)-5-methyl-12-oxa-3,6,23-triaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene is sourced from PubChem (CID 157485995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).