4-dibenzofuran-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-dibenzofuran-2-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-3-phenyl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-5-phenyl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(1,3-dimethyldibenzofuran-2-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

C207H129N21O11+10 — CID 157176062

IUPAC4-dibenzofuran-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-dibenzofuran-2-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-3-phenyl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-5-phenyl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(1,3-dimethyldibenzofuran-2-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
SMILESCc1c(-c2ccc3oc4ccccc4c3c2)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2-n2c4ccccc4c4ccc[n+]1c42)O3.Cc1c(-c2ccc3oc4ccccc4c3c2)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2Oc2cccc[n+]21)O3.Cc1cc2oc3ccccc3c2c(C)c1-c1c(C)n2[n+](c1C)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13.c1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)n[n+]3n2-c2cccc4c2C32c3c(cccc3-n3c5ccccc5c5ccc[n+]2c53)O4)cc1.c1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)nn3[n+]2C24c5c(cccc5-n5c6ccccc6c6ccc[n+]2c65)Oc2cccc-3c24)cc1
InChIInChI=1S/2C44H25N5O2.C43H30N4O2.C41H26N4O2.C35H23N3O3/c1-2-11-26(12-3-1)42-41(27-22-23-36-31(25-27)29-14-5-7-19-35(29)50-36)45-49-34-18-9-21-38-40(34)44(48(42)49)39-33(17-8-20-37(39)51-38)47-32-16-6-4-13-28(32)30-15-10-24-46(44)43(30)47;1-2-11-26(12-3-1)42-41(27-22-23-36-31(25-27)29-14-5-7-19-35(29)50-36)45-49-44-39-33(17-8-20-37(39)51-38-21-9-18-34(40(38)44)48(42)49)47-32-16-6-4-13-28(32)30-15-10-24-46(44)43(30)47;1-23-22-35-38(29-13-6-8-16-32(29)48-35)24(2)37(23)39-25(3)46-31-15-11-17-33-40(31)43(47(46)26(39)4)41-34(49-33)20-19-28-27-12-5-7-14-30(27)45(42(28)41)36-18-9-10-21-44(36)43;1-23-37(25-19-20-34-29(22-25)27-11-4-6-16-33(27)46-34)24(2)45-41-38-31(14-7-17-35(38)47-36-18-8-15-32(39(36)41)44(23)45)43-30-13-5-3-10-26(30)28-12-9-21-42(41)40(28)43;1-20-32(22-16-17-27-24(19-22)23-9-3-4-11-26(23)39-27)21(2)38-35-33-25(37(20)38)10-7-12-28(33)40-29-13-8-14-30(34(29)35)41-31-15-5-6-18-36(31)35/h2*1-25H;5-22H,1-4H3;3-22H,1-2H3;3-19H,1-2H3/q5*+2
InChIKeyNAKSCHUTJBUGAK-UHFFFAOYSA-N
MW3086.44 g/mol
LogP42.02
Rot. Bonds7

About 4-dibenzofuran-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-dibenzofuran-2-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-3-phenyl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-5-phenyl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(1,3-dimethyldibenzofuran-2-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-dibenzofuran-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-dibenzofuran-2-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-3-phenyl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-5-phenyl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(1,3-dimethyldibenzofuran-2-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 (PubChem CID 157176062) has the molecular formula C207H129N21O11+10 and a molecular weight of 3086.44 g/mol. Its IUPAC name is 4-dibenzofuran-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-dibenzofuran-2-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-3-phenyl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-5-phenyl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(1,3-dimethyldibenzofuran-2-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.

Molecular Properties

Compound Name4-dibenzofuran-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-dibenzofuran-2-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-3-phenyl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-5-phenyl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(1,3-dimethyldibenzofuran-2-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
PubChem CID157176062
Molecular FormulaC207H129N21O11+10
Molecular Weight3086.44 g/mol
Exact Mass3084.01
IUPAC Name4-dibenzofuran-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-dibenzofuran-2-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-3-phenyl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-5-phenyl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(1,3-dimethyldibenzofuran-2-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
SMILESCc1c(-c2ccc3oc4ccccc4c3c2)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2-n2c4ccccc4c4ccc[n+]1c42)O3.Cc1c(-c2ccc3oc4ccccc4c3c2)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2Oc2cccc[n+]21)O3.Cc1cc2oc3ccccc3c2c(C)c1-c1c(C)n2[n+](c1C)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13.c1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)n[n+]3n2-c2cccc4c2C32c3c(cccc3-n3c5ccccc5c5ccc[n+]2c53)O4)cc1.c1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)nn3[n+]2C24c5c(cccc5-n5c6ccccc6c6ccc[n+]2c65)Oc2cccc-3c24)cc1
InChIInChI=1S/2C44H25N5O2.C43H30N4O2.C41H26N4O2.C35H23N3O3/c1-2-11-26(12-3-1)42-41(27-22-23-36-31(25-27)29-14-5-7-19-35(29)50-36)45-49-34-18-9-21-38-40(34)44(48(42)49)39-33(17-8-20-37(39)51-38)47-32-16-6-4-13-28(32)30-15-10-24-46(44)43(30)47;1-2-11-26(12-3-1)42-41(27-22-23-36-31(25-27)29-14-5-7-19-35(29)50-36)45-49-44-39-33(17-8-20-37(39)51-38-21-9-18-34(40(38)44)48(42)49)47-32-16-6-4-13-28(32)30-15-10-24-46(44)43(30)47;1-23-22-35-38(29-13-6-8-16-32(29)48-35)24(2)37(23)39-25(3)46-31-15-11-17-33-40(31)43(47(46)26(39)4)41-34(49-33)20-19-28-27-12-5-7-14-30(27)45(42(28)41)36-18-9-10-21-44(36)43;1-23-37(25-19-20-34-29(22-25)27-11-4-6-16-33(27)46-34)24(2)45-41-38-31(14-7-17-35(38)47-36-18-8-15-32(39(36)41)44(23)45)43-30-13-5-3-10-26(30)28-12-9-21-42(41)40(28)43;1-20-32(22-16-17-27-24(19-22)23-9-3-4-11-26(23)39-27)21(2)38-35-33-25(37(20)38)10-7-12-28(33)40-29-13-8-14-30(34(29)35)41-31-15-5-6-18-36(31)35/h2*1-25H;5-22H,1-4H3;3-22H,1-2H3;3-19H,1-2H3/q5*+2
InChIKeyNAKSCHUTJBUGAK-UHFFFAOYSA-N
XLogP42.02
TPSA230.03 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds7
Heavy Atoms239
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003086.44
LogP ≤ 542.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 4-dibenzofuran-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-dibenzofuran-2-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-3-phenyl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-5-phenyl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(1,3-dimethyldibenzofuran-2-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-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-dibenzofuran-2-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-3-phenyl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-5-phenyl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(1,3-dimethyldibenzofuran-2-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?
The IUPAC name of 4-dibenzofuran-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-dibenzofuran-2-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-3-phenyl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-5-phenyl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(1,3-dimethyldibenzofuran-2-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 (CID 157176062) is 4-dibenzofuran-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-dibenzofuran-2-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-3-phenyl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-5-phenyl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(1,3-dimethyldibenzofuran-2-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.
What is the SMILES notation for 4-dibenzofuran-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-dibenzofuran-2-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-3-phenyl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-5-phenyl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(1,3-dimethyldibenzofuran-2-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?
The canonical SMILES for 4-dibenzofuran-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-dibenzofuran-2-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-3-phenyl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-5-phenyl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(1,3-dimethyldibenzofuran-2-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 is Cc1c(-c2ccc3oc4ccccc4c3c2)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2-n2c4ccccc4c4ccc[n+]1c42)O3.Cc1c(-c2ccc3oc4ccccc4c3c2)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2Oc2cccc[n+]21)O3.Cc1cc2oc3ccccc3c2c(C)c1-c1c(C)n2[n+](c1C)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13.c1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)n[n+]3n2-c2cccc4c2C32c3c(cccc3-n3c5ccccc5c5ccc[n+]2c53)O4)cc1.c1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)nn3[n+]2C24c5c(cccc5-n5c6ccccc6c6ccc[n+]2c65)Oc2cccc-3c24)cc1.
What is the InChIKey of 4-dibenzofuran-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-dibenzofuran-2-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-3-phenyl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-5-phenyl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(1,3-dimethyldibenzofuran-2-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?
The InChIKey is NAKSCHUTJBUGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H25N5O2.C43H30N4O2.C41H26N4O2.C35H23N3O3/c1-2-11-26(12-3-1)42-41(27-22-23-36-31(25-27)29-14-5-7-19-35(29)50-36)45-49-34-18-9-21-38-40(34)44(48(42)49)39-33(17-8-20-37(39)51-38)47-32-16-6-4-13-28(32)30-15-10-24-46(44)43(30)47;1-2-11-26(12-3-1)42-41(27-22-23-36-31(25-27)29-14-5-7-19-35(29)50-36)45-49-44-39-33(17-8-20-37(39)51-38-21-9-18-34(40(38)44)48(42)49)47-32-16-6-4-13-28(32)30-15-10-24-46(44)43(30)47;1-23-22-35-38(29-13-6-8-16-32(29)48-35)24(2)37(23)39-25(3)46-31-15-11-17-33-40(31)43(47(46)26(39)4)41-34(49-33)20-19-28-27-12-5-7-14-30(27)45(42(28)41)36-18-9-10-21-44(36)43;1-23-37(25-19-20-34-29(22-25)27-11-4-6-16-33(27)46-34)24(2)45-41-38-31(14-7-17-35(38)47-36-18-8-15-32(39(36)41)44(23)45)43-30-13-5-3-10-26(30)28-12-9-21-42(41)40(28)43;1-20-32(22-16-17-27-24(19-22)23-9-3-4-11-26(23)39-27)21(2)38-35-33-25(37(20)38)10-7-12-28(33)40-29-13-8-14-30(34(29)35)41-31-15-5-6-18-36(31)35/h2*1-25H;5-22H,1-4H3;3-22H,1-2H3;3-19H,1-2H3/q5*+2.
What are the key properties of 4-dibenzofuran-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-dibenzofuran-2-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-3-phenyl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-5-phenyl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(1,3-dimethyldibenzofuran-2-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-dibenzofuran-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-dibenzofuran-2-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-3-phenyl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-5-phenyl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(1,3-dimethyldibenzofuran-2-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 has a molecular weight of 3086.44 g/mol, XLogP of 42.02, 7 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-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-dibenzofuran-2-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-3-phenyl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzofuran-2-yl-5-phenyl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(1,3-dimethyldibenzofuran-2-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 is sourced from PubChem (CID 157176062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).