4-indolizin-3-yl-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-indolizin-3-yl-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-indolizin-3-yl-20-(4-phenylphenyl)-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-(2-indolizin-3-ylpropan-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-pyrrolo[1,2-a]quinolin-1-yl-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

C168H111N23O7+10 — CID 157076093

IUPAC4-indolizin-3-yl-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-indolizin-3-yl-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-indolizin-3-yl-20-(4-phenylphenyl)-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-(2-indolizin-3-ylpropan-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-pyrrolo[1,2-a]quinolin-1-yl-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
SMILESCc1c(C(C)(C)c2ccc3ccccn23)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2Oc2cccc[n+]21)O3.c1cc2c3c(c1)-n1cc(-c4ccc5ccccn45)c[n+]1C31c3c(ccc4c5ccccc5n(c34)-c3cccc[n+]31)O2.c1cc2c3c(c1)-n1ccc[n+]1C31c3c(cccc3-n3cc(-c4ccc5ccccn45)c[n+]31)O2.c1cc2c3c(c1)Oc1cccc[n+]1C31c3c(cccc3-n3cc(-c4ccc5ccc6ccccc6n45)c[n+]31)O2.c1ccc(-c2ccc(-c3cn4[n+](c3)C35c6c(cccc6-4)Oc4cccc(c43)-n3cc(-c4ccc6ccccn46)c[n+]35)cc2)cc1
InChIInChI=1S/C39H25N5O.C35H21N5O.C34H28N4O2.C33H20N4O2.C27H17N5O/c1-2-8-26(9-3-1)27-15-17-28(18-16-27)29-22-41-33-11-6-13-35-37(33)39(43(41)24-29)38-34(12-7-14-36(38)45-35)42-23-30(25-44(39)42)32-20-19-31-10-4-5-21-40(31)32;1-2-10-27-24(9-1)25-15-17-30-33-34(25)40(27)31-13-4-6-19-37(31)35(33)32-28(11-7-12-29(32)41-30)38-20-22(21-39(35)38)26-16-14-23-8-3-5-18-36(23)26;1-21-30(33(3,4)28-18-17-23-11-5-7-19-35(23)28)22(2)38-34-31-24(37(21)38)12-9-13-25(31)39-26-14-10-15-27(32(26)34)40-29-16-6-8-20-36(29)34;1-2-8-24-21(7-1)14-15-23-16-17-25(37(23)24)22-19-35-26-9-5-10-27-31(26)33(36(35)20-22)32-28(38-27)11-6-12-29(32)39-30-13-3-4-18-34(30)33;1-2-13-28-19(6-1)11-12-20(28)18-16-30-22-8-4-10-24-26(22)27(32(30)17-18)25-21(7-3-9-23(25)33-24)29-14-5-15-31(27)29/h1-25H;1-21H;5-20H,1-4H3;1-20H;1-17H/q5*+2
InChIKeyNRWHRASIFMRYIV-UHFFFAOYSA-N
MW2563.89 g/mol
LogP29.04
Rot. Bonds8

About 4-indolizin-3-yl-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-indolizin-3-yl-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-indolizin-3-yl-20-(4-phenylphenyl)-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-(2-indolizin-3-ylpropan-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-pyrrolo[1,2-a]quinolin-1-yl-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-indolizin-3-yl-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-indolizin-3-yl-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-indolizin-3-yl-20-(4-phenylphenyl)-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-(2-indolizin-3-ylpropan-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-pyrrolo[1,2-a]quinolin-1-yl-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 (PubChem CID 157076093) has the molecular formula C168H111N23O7+10 and a molecular weight of 2563.89 g/mol. Its IUPAC name is 4-indolizin-3-yl-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-indolizin-3-yl-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-indolizin-3-yl-20-(4-phenylphenyl)-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-(2-indolizin-3-ylpropan-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-pyrrolo[1,2-a]quinolin-1-yl-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.

Molecular Properties

Compound Name4-indolizin-3-yl-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-indolizin-3-yl-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-indolizin-3-yl-20-(4-phenylphenyl)-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-(2-indolizin-3-ylpropan-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-pyrrolo[1,2-a]quinolin-1-yl-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
PubChem CID157076093
Molecular FormulaC168H111N23O7+10
Molecular Weight2563.89 g/mol
Exact Mass2561.90
IUPAC Name4-indolizin-3-yl-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-indolizin-3-yl-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-indolizin-3-yl-20-(4-phenylphenyl)-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-(2-indolizin-3-ylpropan-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-pyrrolo[1,2-a]quinolin-1-yl-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
SMILESCc1c(C(C)(C)c2ccc3ccccn23)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2Oc2cccc[n+]21)O3.c1cc2c3c(c1)-n1cc(-c4ccc5ccccn45)c[n+]1C31c3c(ccc4c5ccccc5n(c34)-c3cccc[n+]31)O2.c1cc2c3c(c1)-n1ccc[n+]1C31c3c(cccc3-n3cc(-c4ccc5ccccn45)c[n+]31)O2.c1cc2c3c(c1)Oc1cccc[n+]1C31c3c(cccc3-n3cc(-c4ccc5ccc6ccccc6n45)c[n+]31)O2.c1ccc(-c2ccc(-c3cn4[n+](c3)C35c6c(cccc6-4)Oc4cccc(c43)-n3cc(-c4ccc6ccccn46)c[n+]35)cc2)cc1
InChIInChI=1S/C39H25N5O.C35H21N5O.C34H28N4O2.C33H20N4O2.C27H17N5O/c1-2-8-26(9-3-1)27-15-17-28(18-16-27)29-22-41-33-11-6-13-35-37(33)39(43(41)24-29)38-34(12-7-14-36(38)45-35)42-23-30(25-44(39)42)32-20-19-31-10-4-5-21-40(31)32;1-2-10-27-24(9-1)25-15-17-30-33-34(25)40(27)31-13-4-6-19-37(31)35(33)32-28(11-7-12-29(32)41-30)38-20-22(21-39(35)38)26-16-14-23-8-3-5-18-36(23)26;1-21-30(33(3,4)28-18-17-23-11-5-7-19-35(23)28)22(2)38-34-31-24(37(21)38)12-9-13-25(31)39-26-14-10-15-27(32(26)34)40-29-16-6-8-20-36(29)34;1-2-8-24-21(7-1)14-15-23-16-17-25(37(23)24)22-19-35-26-9-5-10-27-31(26)33(36(35)20-22)32-28(38-27)11-6-12-29(32)39-30-13-3-4-18-34(30)33;1-2-13-28-19(6-1)11-12-20(28)18-16-30-22-8-4-10-24-26(22)27(32(30)17-18)25-21(7-3-9-23(25)33-24)29-14-5-15-31(27)29/h1-25H;1-21H;5-20H,1-4H3;1-20H;1-17H/q5*+2
InChIKeyNRWHRASIFMRYIV-UHFFFAOYSA-N
XLogP29.04
TPSA164.90 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms198
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002563.89
LogP ≤ 529.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4-indolizin-3-yl-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-indolizin-3-yl-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-indolizin-3-yl-20-(4-phenylphenyl)-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-(2-indolizin-3-ylpropan-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-pyrrolo[1,2-a]quinolin-1-yl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-indolizin-3-yl-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-indolizin-3-yl-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-indolizin-3-yl-20-(4-phenylphenyl)-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-(2-indolizin-3-ylpropan-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-pyrrolo[1,2-a]quinolin-1-yl-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?
The IUPAC name of 4-indolizin-3-yl-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-indolizin-3-yl-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-indolizin-3-yl-20-(4-phenylphenyl)-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-(2-indolizin-3-ylpropan-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-pyrrolo[1,2-a]quinolin-1-yl-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 (CID 157076093) is 4-indolizin-3-yl-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-indolizin-3-yl-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-indolizin-3-yl-20-(4-phenylphenyl)-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-(2-indolizin-3-ylpropan-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-pyrrolo[1,2-a]quinolin-1-yl-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.
What is the SMILES notation for 4-indolizin-3-yl-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-indolizin-3-yl-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-indolizin-3-yl-20-(4-phenylphenyl)-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-(2-indolizin-3-ylpropan-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-pyrrolo[1,2-a]quinolin-1-yl-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?
The canonical SMILES for 4-indolizin-3-yl-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-indolizin-3-yl-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-indolizin-3-yl-20-(4-phenylphenyl)-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-(2-indolizin-3-ylpropan-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-pyrrolo[1,2-a]quinolin-1-yl-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 is Cc1c(C(C)(C)c2ccc3ccccn23)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2Oc2cccc[n+]21)O3.c1cc2c3c(c1)-n1cc(-c4ccc5ccccn45)c[n+]1C31c3c(ccc4c5ccccc5n(c34)-c3cccc[n+]31)O2.c1cc2c3c(c1)-n1ccc[n+]1C31c3c(cccc3-n3cc(-c4ccc5ccccn45)c[n+]31)O2.c1cc2c3c(c1)Oc1cccc[n+]1C31c3c(cccc3-n3cc(-c4ccc5ccc6ccccc6n45)c[n+]31)O2.c1ccc(-c2ccc(-c3cn4[n+](c3)C35c6c(cccc6-4)Oc4cccc(c43)-n3cc(-c4ccc6ccccn46)c[n+]35)cc2)cc1.
What is the InChIKey of 4-indolizin-3-yl-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-indolizin-3-yl-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-indolizin-3-yl-20-(4-phenylphenyl)-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-(2-indolizin-3-ylpropan-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-pyrrolo[1,2-a]quinolin-1-yl-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?
The InChIKey is NRWHRASIFMRYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N5O.C35H21N5O.C34H28N4O2.C33H20N4O2.C27H17N5O/c1-2-8-26(9-3-1)27-15-17-28(18-16-27)29-22-41-33-11-6-13-35-37(33)39(43(41)24-29)38-34(12-7-14-36(38)45-35)42-23-30(25-44(39)42)32-20-19-31-10-4-5-21-40(31)32;1-2-10-27-24(9-1)25-15-17-30-33-34(25)40(27)31-13-4-6-19-37(31)35(33)32-28(11-7-12-29(32)41-30)38-20-22(21-39(35)38)26-16-14-23-8-3-5-18-36(23)26;1-21-30(33(3,4)28-18-17-23-11-5-7-19-35(23)28)22(2)38-34-31-24(37(21)38)12-9-13-25(31)39-26-14-10-15-27(32(26)34)40-29-16-6-8-20-36(29)34;1-2-8-24-21(7-1)14-15-23-16-17-25(37(23)24)22-19-35-26-9-5-10-27-31(26)33(36(35)20-22)32-28(38-27)11-6-12-29(32)39-30-13-3-4-18-34(30)33;1-2-13-28-19(6-1)11-12-20(28)18-16-30-22-8-4-10-24-26(22)27(32(30)17-18)25-21(7-3-9-23(25)33-24)29-14-5-15-31(27)29/h1-25H;1-21H;5-20H,1-4H3;1-20H;1-17H/q5*+2.
What are the key properties of 4-indolizin-3-yl-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-indolizin-3-yl-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-indolizin-3-yl-20-(4-phenylphenyl)-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-(2-indolizin-3-ylpropan-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-pyrrolo[1,2-a]quinolin-1-yl-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-indolizin-3-yl-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-indolizin-3-yl-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-indolizin-3-yl-20-(4-phenylphenyl)-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-(2-indolizin-3-ylpropan-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-pyrrolo[1,2-a]quinolin-1-yl-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 has a molecular weight of 2563.89 g/mol, XLogP of 29.04, 8 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indolizin-3-yl-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-indolizin-3-yl-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-indolizin-3-yl-20-(4-phenylphenyl)-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene;4-(2-indolizin-3-ylpropan-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-pyrrolo[1,2-a]quinolin-1-yl-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 is sourced from PubChem (CID 157076093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).