19,25-dioxa-4-aza-5,31-diazonianonacyclo[18.11.1.01,5.02,18.03,15.04,8.09,14.024,32.026,31]dotriaconta-2(18),3(15),5,7,9,11,13,16,20(32),21,23,26,28,30-tetradecaene

C27H15N3O2+2 — CID 158109470

IUPAC19,25-dioxa-4-aza-5,31-diazonianonacyclo[18.11.1.01,5.02,18.03,15.04,8.09,14.024,32.026,31]dotriaconta-2(18),3(15),5,7,9,11,13,16,20(32),21,23,26,28,30-tetradecaene
SMILESc1cc2c3c(c1)Oc1cccc[n+]1C31c3c(ccc4c5ccccc5c5cc[n+]1n5c34)O2
InChIInChI=1S/C27H15N3O2/c1-2-7-17-16(6-1)18-11-12-22-25-26(18)30-19(17)13-15-29(30)27(25)24-20(31-22)8-5-9-21(24)32-23-10-3-4-14-28(23)27/h1-15H/q+2
InChIKeyZAAOUWVOEYDJDU-UHFFFAOYSA-N
MW413.44 g/mol
LogP4.64
Rot. Bonds

About 19,25-dioxa-4-aza-5,31-diazonianonacyclo[18.11.1.01,5.02,18.03,15.04,8.09,14.024,32.026,31]dotriaconta-2(18),3(15),5,7,9,11,13,16,20(32),21,23,26,28,30-tetradecaene

19,25-dioxa-4-aza-5,31-diazonianonacyclo[18.11.1.01,5.02,18.03,15.04,8.09,14.024,32.026,31]dotriaconta-2(18),3(15),5,7,9,11,13,16,20(32),21,23,26,28,30-tetradecaene (PubChem CID 158109470) has the molecular formula C27H15N3O2+2 and a molecular weight of 413.44 g/mol. Its IUPAC name is 19,25-dioxa-4-aza-5,31-diazonianonacyclo[18.11.1.01,5.02,18.03,15.04,8.09,14.024,32.026,31]dotriaconta-2(18),3(15),5,7,9,11,13,16,20(32),21,23,26,28,30-tetradecaene.

Molecular Properties

Compound Name19,25-dioxa-4-aza-5,31-diazonianonacyclo[18.11.1.01,5.02,18.03,15.04,8.09,14.024,32.026,31]dotriaconta-2(18),3(15),5,7,9,11,13,16,20(32),21,23,26,28,30-tetradecaene
PubChem CID158109470
Molecular FormulaC27H15N3O2+2
Molecular Weight413.44 g/mol
Exact Mass413.12
IUPAC Name19,25-dioxa-4-aza-5,31-diazonianonacyclo[18.11.1.01,5.02,18.03,15.04,8.09,14.024,32.026,31]dotriaconta-2(18),3(15),5,7,9,11,13,16,20(32),21,23,26,28,30-tetradecaene
SMILESc1cc2c3c(c1)Oc1cccc[n+]1C31c3c(ccc4c5ccccc5c5cc[n+]1n5c34)O2
InChIInChI=1S/C27H15N3O2/c1-2-7-17-16(6-1)18-11-12-22-25-26(18)30-19(17)13-15-29(30)27(25)24-20(31-22)8-5-9-21(24)32-23-10-3-4-14-28(23)27/h1-15H/q+2
InChIKeyZAAOUWVOEYDJDU-UHFFFAOYSA-N
XLogP4.64
TPSA30.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 19,25-dioxa-4-aza-5,31-diazonianonacyclo[18.11.1.01,5.02,18.03,15.04,8.09,14.024,32.026,31]dotriaconta-2(18),3(15),5,7,9,11,13,16,20(32),21,23,26,28,30-tetradecaene with MolForge

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Related Compounds

11,17-dioxa-1-aza-5,37-diazoniaundecacyclo[20.16.1.14,12.02,21.03,18.04,37.05,10.026,39.027,32.033,38.016,40]tetraconta-2(21),3(18),5,7,9,12,14,16(40),19,22(39),23,25,27,29,31,33(38),34,36-octadecaene
CID 159752561
19-oxa-8,30-diaza-2,36-diazoniaundecacyclo[21.13.2.215,18.01,17.02,7.08,16.09,14.020,37.024,29.030,38.031,36]tetraconta-2,4,6,9,11,13,15,17,20(37),21,23(38),24,26,28,31,33,35,39-octadecaene
CID 161322502
4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene
CID 157497252
4-naphthalen-2-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-naphthalen-1-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-naphthalen-2-yl-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-naphthalen-2-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
CID 159740680
8-(4-phenylphenyl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7,9,11(26),13(25),14,16,19,21,23-undecaene
CID 157269003
3,5-dimethyl-4-(4-phenylphenyl)-19,24-dioxa-6,12-diaza-2,30-diazonianonacyclo[18.10.2.11,7.02,6.012,32.013,18.023,31.025,30.011,33]tritriaconta-2,4,7(33),8,10,13,15,17,20(32),21,23(31),25,27,29-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,12-diaza-2,29-diazonianonacyclo[17.10.2.11,7.02,6.012,31.013,18.022,30.024,29.011,32]dotriaconta-2,4,7(32),8,10,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene
CID 162175059
16-oxa-1-aza-5,36-diazoniaundecacyclo[19.16.1.14,11.02,20.03,17.04,36.05,10.025,38.026,31.032,37.015,39]nonatriaconta-2(20),3(17),5,7,9,11(39),12,14,18,21(38),22,24,26,28,30,32(37),33,35-octadecaene
CID 159970919
4-anthracen-9-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-anthracen-9-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-anthracen-9-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-naphthalen-2-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
CID 159121181
9-(4-phenylphenyl)-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 157468309
4-dibenzothiophen-3-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-dibenzothiophen-3-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-dibenzothiophen-2-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-dibenzothiophen-2-yl-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
CID 162093267
4-dibenzofuran-2-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
CID 157348896
3,5-dimethyl-4-phenanthren-9-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;3,5-dimethyl-4-phenanthren-9-yl-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;3,5-dimethyl-4-phenanthren-9-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;3,5-dimethyl-4-phenanthren-9-yl-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene
CID 158711416

Frequently Asked Questions

What is the IUPAC name of 19,25-dioxa-4-aza-5,31-diazonianonacyclo[18.11.1.01,5.02,18.03,15.04,8.09,14.024,32.026,31]dotriaconta-2(18),3(15),5,7,9,11,13,16,20(32),21,23,26,28,30-tetradecaene?
The IUPAC name of 19,25-dioxa-4-aza-5,31-diazonianonacyclo[18.11.1.01,5.02,18.03,15.04,8.09,14.024,32.026,31]dotriaconta-2(18),3(15),5,7,9,11,13,16,20(32),21,23,26,28,30-tetradecaene (CID 158109470) is 19,25-dioxa-4-aza-5,31-diazonianonacyclo[18.11.1.01,5.02,18.03,15.04,8.09,14.024,32.026,31]dotriaconta-2(18),3(15),5,7,9,11,13,16,20(32),21,23,26,28,30-tetradecaene.
What is the SMILES notation for 19,25-dioxa-4-aza-5,31-diazonianonacyclo[18.11.1.01,5.02,18.03,15.04,8.09,14.024,32.026,31]dotriaconta-2(18),3(15),5,7,9,11,13,16,20(32),21,23,26,28,30-tetradecaene?
The canonical SMILES for 19,25-dioxa-4-aza-5,31-diazonianonacyclo[18.11.1.01,5.02,18.03,15.04,8.09,14.024,32.026,31]dotriaconta-2(18),3(15),5,7,9,11,13,16,20(32),21,23,26,28,30-tetradecaene is c1cc2c3c(c1)Oc1cccc[n+]1C31c3c(ccc4c5ccccc5c5cc[n+]1n5c34)O2.
What is the InChIKey of 19,25-dioxa-4-aza-5,31-diazonianonacyclo[18.11.1.01,5.02,18.03,15.04,8.09,14.024,32.026,31]dotriaconta-2(18),3(15),5,7,9,11,13,16,20(32),21,23,26,28,30-tetradecaene?
The InChIKey is ZAAOUWVOEYDJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15N3O2/c1-2-7-17-16(6-1)18-11-12-22-25-26(18)30-19(17)13-15-29(30)27(25)24-20(31-22)8-5-9-21(24)32-23-10-3-4-14-28(23)27/h1-15H/q+2.
What are the key properties of 19,25-dioxa-4-aza-5,31-diazonianonacyclo[18.11.1.01,5.02,18.03,15.04,8.09,14.024,32.026,31]dotriaconta-2(18),3(15),5,7,9,11,13,16,20(32),21,23,26,28,30-tetradecaene?
19,25-dioxa-4-aza-5,31-diazonianonacyclo[18.11.1.01,5.02,18.03,15.04,8.09,14.024,32.026,31]dotriaconta-2(18),3(15),5,7,9,11,13,16,20(32),21,23,26,28,30-tetradecaene has a molecular weight of 413.44 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19,25-dioxa-4-aza-5,31-diazonianonacyclo[18.11.1.01,5.02,18.03,15.04,8.09,14.024,32.026,31]dotriaconta-2(18),3(15),5,7,9,11,13,16,20(32),21,23,26,28,30-tetradecaene is sourced from PubChem (CID 158109470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).