2,4-dioxa-12,14-diazatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,12,13,16,18-octaene;2,4-dioxa-10,12-diazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),10,11,13(17),14-octaene;8-(2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaen-8-ylmethyl)-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaene;8,16-diphenyl-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(14),5(10),6,8,11,12,15,17-octaene;5,21,26,42,47,63-hexaoxa-12,14,33,35,54,56-hexazadecacyclo[44.17.0.04,22.06,11.015,20.025,43.027,32.036,41.048,53.057,62]trihexaconta-6,8,10,12,13,15,17,19,27,29,31,33,34,36,38,40,48,50,52,54,55,57,59,61-tetracosaene;13,16,20,23-tetraoxa-4,6,30,32-tetrazapentacyclo[17.13.0.03,17.07,12.024,29]dotriaconta-1(19),2,4,5,7,9,11,17,24,26,28,30,31-tridecaene

C160H122N20O20 — CID 159750778

IUPAC2,4-dioxa-12,14-diazatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,12,13,16,18-octaene;2,4-dioxa-10,12-diazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),10,11,13(17),14-octaene;8-(2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaen-8-ylmethyl)-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaene;8,16-diphenyl-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(14),5(10),6,8,11,12,15,17-octaene;5,21,26,42,47,63-hexaoxa-12,14,33,35,54,56-hexazadecacyclo[44.17.0.04,22.06,11.015,20.025,43.027,32.036,41.048,53.057,62]trihexaconta-6,8,10,12,13,15,17,19,27,29,31,33,34,36,38,40,48,50,52,54,55,57,59,61-tetracosaene;13,16,20,23-tetraoxa-4,6,30,32-tetrazapentacyclo[17.13.0.03,17.07,12.024,29]dotriaconta-1(19),2,4,5,7,9,11,17,24,26,28,30,31-tridecaene
SMILESC1=NCc2ccccc2OCOc2ccccc2CN=1.C1=Nc2cc(-c3ccccc3)ccc2OCOc2ccc(-c3ccccc3)cc2N=1.C1=Nc2cccc(c2)OCOc2cccc(c2)N=1.C1=Nc2ccccc2OC2CCC3Oc4ccccc4N=C=Nc4ccccc4OC3CCC3Oc4ccccc4N=C=Nc4ccccc4OC3CCC2Oc2ccccc2N=1.C1=Nc2ccccc2OCCOc2cc3c(cc2N=1)N=C=Nc1ccccc1OCCO3.C1=Nc2ccccc2OCOc2ccc(Cc3ccc4c(c3)N=C=Nc3ccccc3OCO4)cc2N=1
InChIInChI=1S/C51H42N6O6.C29H20N4O4.C26H18N2O2.C24H18N4O4.C16H14N2O2.C14H10N2O2/c1-7-19-40-34(13-1)52-31-53-35-14-2-8-20-41(35)59-47-27-28-49-51(63-45-24-12-6-18-39(45)57-33-55-37-16-4-10-22-43(37)61-49)30-29-50-48(26-25-46(47)58-40)60-42-21-9-3-15-36(42)54-32-56-38-17-5-11-23-44(38)62-50;1-3-7-26-22(5-1)30-16-32-24-14-20(9-11-28(24)36-18-34-26)13-21-10-12-29-25(15-21)33-17-31-23-6-2-4-8-27(23)35-19-37-29;1-3-7-19(8-4-1)21-11-13-25-23(15-21)27-17-28-24-16-22(20-9-5-2-6-10-20)12-14-26(24)30-18-29-25;1-3-7-21-17(5-1)25-15-27-19-13-20-24(14-23(19)31-11-9-29-21)32-12-10-30-22-8-4-2-6-18(22)26-16-28-20;1-3-7-15-13(5-1)9-17-11-18-10-14-6-2-4-8-16(14)20-12-19-15;1-3-11-7-13(5-1)17-10-18-14-6-2-4-12(8-14)16-9-15-11/h1-24,46-51H,25-30H2;1-12,14-15H,13,18-19H2;1-16H,18H2;1-8,13-14H,9-12H2;1-8H,9-10,12H2;1-8H,10H2
InChIKeyNDPTVJNOCHWOPG-UHFFFAOYSA-N
MW2644.86 g/mol
LogP38.62
Rot. Bonds4

About 2,4-dioxa-12,14-diazatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,12,13,16,18-octaene;2,4-dioxa-10,12-diazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),10,11,13(17),14-octaene;8-(2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaen-8-ylmethyl)-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaene;8,16-diphenyl-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(14),5(10),6,8,11,12,15,17-octaene;5,21,26,42,47,63-hexaoxa-12,14,33,35,54,56-hexazadecacyclo[44.17.0.04,22.06,11.015,20.025,43.027,32.036,41.048,53.057,62]trihexaconta-6,8,10,12,13,15,17,19,27,29,31,33,34,36,38,40,48,50,52,54,55,57,59,61-tetracosaene;13,16,20,23-tetraoxa-4,6,30,32-tetrazapentacyclo[17.13.0.03,17.07,12.024,29]dotriaconta-1(19),2,4,5,7,9,11,17,24,26,28,30,31-tridecaene

2,4-dioxa-12,14-diazatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,12,13,16,18-octaene;2,4-dioxa-10,12-diazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),10,11,13(17),14-octaene;8-(2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaen-8-ylmethyl)-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaene;8,16-diphenyl-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(14),5(10),6,8,11,12,15,17-octaene;5,21,26,42,47,63-hexaoxa-12,14,33,35,54,56-hexazadecacyclo[44.17.0.04,22.06,11.015,20.025,43.027,32.036,41.048,53.057,62]trihexaconta-6,8,10,12,13,15,17,19,27,29,31,33,34,36,38,40,48,50,52,54,55,57,59,61-tetracosaene;13,16,20,23-tetraoxa-4,6,30,32-tetrazapentacyclo[17.13.0.03,17.07,12.024,29]dotriaconta-1(19),2,4,5,7,9,11,17,24,26,28,30,31-tridecaene (PubChem CID 159750778) has the molecular formula C160H122N20O20 and a molecular weight of 2644.86 g/mol. Its IUPAC name is 2,4-dioxa-12,14-diazatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,12,13,16,18-octaene;2,4-dioxa-10,12-diazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),10,11,13(17),14-octaene;8-(2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaen-8-ylmethyl)-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaene;8,16-diphenyl-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(14),5(10),6,8,11,12,15,17-octaene;5,21,26,42,47,63-hexaoxa-12,14,33,35,54,56-hexazadecacyclo[44.17.0.04,22.06,11.015,20.025,43.027,32.036,41.048,53.057,62]trihexaconta-6,8,10,12,13,15,17,19,27,29,31,33,34,36,38,40,48,50,52,54,55,57,59,61-tetracosaene;13,16,20,23-tetraoxa-4,6,30,32-tetrazapentacyclo[17.13.0.03,17.07,12.024,29]dotriaconta-1(19),2,4,5,7,9,11,17,24,26,28,30,31-tridecaene.

Molecular Properties

Compound Name2,4-dioxa-12,14-diazatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,12,13,16,18-octaene;2,4-dioxa-10,12-diazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),10,11,13(17),14-octaene;8-(2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaen-8-ylmethyl)-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaene;8,16-diphenyl-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(14),5(10),6,8,11,12,15,17-octaene;5,21,26,42,47,63-hexaoxa-12,14,33,35,54,56-hexazadecacyclo[44.17.0.04,22.06,11.015,20.025,43.027,32.036,41.048,53.057,62]trihexaconta-6,8,10,12,13,15,17,19,27,29,31,33,34,36,38,40,48,50,52,54,55,57,59,61-tetracosaene;13,16,20,23-tetraoxa-4,6,30,32-tetrazapentacyclo[17.13.0.03,17.07,12.024,29]dotriaconta-1(19),2,4,5,7,9,11,17,24,26,28,30,31-tridecaene
PubChem CID159750778
Molecular FormulaC160H122N20O20
Molecular Weight2644.86 g/mol
Exact Mass2642.91
IUPAC Name2,4-dioxa-12,14-diazatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,12,13,16,18-octaene;2,4-dioxa-10,12-diazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),10,11,13(17),14-octaene;8-(2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaen-8-ylmethyl)-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaene;8,16-diphenyl-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(14),5(10),6,8,11,12,15,17-octaene;5,21,26,42,47,63-hexaoxa-12,14,33,35,54,56-hexazadecacyclo[44.17.0.04,22.06,11.015,20.025,43.027,32.036,41.048,53.057,62]trihexaconta-6,8,10,12,13,15,17,19,27,29,31,33,34,36,38,40,48,50,52,54,55,57,59,61-tetracosaene;13,16,20,23-tetraoxa-4,6,30,32-tetrazapentacyclo[17.13.0.03,17.07,12.024,29]dotriaconta-1(19),2,4,5,7,9,11,17,24,26,28,30,31-tridecaene
SMILESC1=NCc2ccccc2OCOc2ccccc2CN=1.C1=Nc2cc(-c3ccccc3)ccc2OCOc2ccc(-c3ccccc3)cc2N=1.C1=Nc2cccc(c2)OCOc2cccc(c2)N=1.C1=Nc2ccccc2OC2CCC3Oc4ccccc4N=C=Nc4ccccc4OC3CCC3Oc4ccccc4N=C=Nc4ccccc4OC3CCC2Oc2ccccc2N=1.C1=Nc2ccccc2OCCOc2cc3c(cc2N=1)N=C=Nc1ccccc1OCCO3.C1=Nc2ccccc2OCOc2ccc(Cc3ccc4c(c3)N=C=Nc3ccccc3OCO4)cc2N=1
InChIInChI=1S/C51H42N6O6.C29H20N4O4.C26H18N2O2.C24H18N4O4.C16H14N2O2.C14H10N2O2/c1-7-19-40-34(13-1)52-31-53-35-14-2-8-20-41(35)59-47-27-28-49-51(63-45-24-12-6-18-39(45)57-33-55-37-16-4-10-22-43(37)61-49)30-29-50-48(26-25-46(47)58-40)60-42-21-9-3-15-36(42)54-32-56-38-17-5-11-23-44(38)62-50;1-3-7-26-22(5-1)30-16-32-24-14-20(9-11-28(24)36-18-34-26)13-21-10-12-29-25(15-21)33-17-31-23-6-2-4-8-27(23)35-19-37-29;1-3-7-19(8-4-1)21-11-13-25-23(15-21)27-17-28-24-16-22(20-9-5-2-6-10-20)12-14-26(24)30-18-29-25;1-3-7-21-17(5-1)25-15-27-19-13-20-24(14-23(19)31-11-9-29-21)32-12-10-30-22-8-4-2-6-18(22)26-16-28-20;1-3-7-15-13(5-1)9-17-11-18-10-14-6-2-4-8-16(14)20-12-19-15;1-3-11-7-13(5-1)17-10-18-14-6-2-4-12(8-14)16-9-15-11/h1-24,46-51H,25-30H2;1-12,14-15H,13,18-19H2;1-16H,18H2;1-8,13-14H,9-12H2;1-8H,9-10,12H2;1-8H,10H2
InChIKeyNDPTVJNOCHWOPG-UHFFFAOYSA-N
XLogP38.62
TPSA431.80 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds4
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002644.86
LogP ≤ 538.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 2,4-dioxa-12,14-diazatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,12,13,16,18-octaene;2,4-dioxa-10,12-diazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),10,11,13(17),14-octaene;8-(2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaen-8-ylmethyl)-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaene;8,16-diphenyl-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(14),5(10),6,8,11,12,15,17-octaene;5,21,26,42,47,63-hexaoxa-12,14,33,35,54,56-hexazadecacyclo[44.17.0.04,22.06,11.015,20.025,43.027,32.036,41.048,53.057,62]trihexaconta-6,8,10,12,13,15,17,19,27,29,31,33,34,36,38,40,48,50,52,54,55,57,59,61-tetracosaene;13,16,20,23-tetraoxa-4,6,30,32-tetrazapentacyclo[17.13.0.03,17.07,12.024,29]dotriaconta-1(19),2,4,5,7,9,11,17,24,26,28,30,31-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxa-12,14-diazatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,12,13,16,18-octaene;2,4-dioxa-10,12-diazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),10,11,13(17),14-octaene;8-(2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaen-8-ylmethyl)-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaene;8,16-diphenyl-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(14),5(10),6,8,11,12,15,17-octaene;5,21,26,42,47,63-hexaoxa-12,14,33,35,54,56-hexazadecacyclo[44.17.0.04,22.06,11.015,20.025,43.027,32.036,41.048,53.057,62]trihexaconta-6,8,10,12,13,15,17,19,27,29,31,33,34,36,38,40,48,50,52,54,55,57,59,61-tetracosaene;13,16,20,23-tetraoxa-4,6,30,32-tetrazapentacyclo[17.13.0.03,17.07,12.024,29]dotriaconta-1(19),2,4,5,7,9,11,17,24,26,28,30,31-tridecaene?
The IUPAC name of 2,4-dioxa-12,14-diazatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,12,13,16,18-octaene;2,4-dioxa-10,12-diazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),10,11,13(17),14-octaene;8-(2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaen-8-ylmethyl)-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaene;8,16-diphenyl-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(14),5(10),6,8,11,12,15,17-octaene;5,21,26,42,47,63-hexaoxa-12,14,33,35,54,56-hexazadecacyclo[44.17.0.04,22.06,11.015,20.025,43.027,32.036,41.048,53.057,62]trihexaconta-6,8,10,12,13,15,17,19,27,29,31,33,34,36,38,40,48,50,52,54,55,57,59,61-tetracosaene;13,16,20,23-tetraoxa-4,6,30,32-tetrazapentacyclo[17.13.0.03,17.07,12.024,29]dotriaconta-1(19),2,4,5,7,9,11,17,24,26,28,30,31-tridecaene (CID 159750778) is 2,4-dioxa-12,14-diazatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,12,13,16,18-octaene;2,4-dioxa-10,12-diazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),10,11,13(17),14-octaene;8-(2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaen-8-ylmethyl)-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaene;8,16-diphenyl-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(14),5(10),6,8,11,12,15,17-octaene;5,21,26,42,47,63-hexaoxa-12,14,33,35,54,56-hexazadecacyclo[44.17.0.04,22.06,11.015,20.025,43.027,32.036,41.048,53.057,62]trihexaconta-6,8,10,12,13,15,17,19,27,29,31,33,34,36,38,40,48,50,52,54,55,57,59,61-tetracosaene;13,16,20,23-tetraoxa-4,6,30,32-tetrazapentacyclo[17.13.0.03,17.07,12.024,29]dotriaconta-1(19),2,4,5,7,9,11,17,24,26,28,30,31-tridecaene.
What is the SMILES notation for 2,4-dioxa-12,14-diazatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,12,13,16,18-octaene;2,4-dioxa-10,12-diazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),10,11,13(17),14-octaene;8-(2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaen-8-ylmethyl)-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaene;8,16-diphenyl-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(14),5(10),6,8,11,12,15,17-octaene;5,21,26,42,47,63-hexaoxa-12,14,33,35,54,56-hexazadecacyclo[44.17.0.04,22.06,11.015,20.025,43.027,32.036,41.048,53.057,62]trihexaconta-6,8,10,12,13,15,17,19,27,29,31,33,34,36,38,40,48,50,52,54,55,57,59,61-tetracosaene;13,16,20,23-tetraoxa-4,6,30,32-tetrazapentacyclo[17.13.0.03,17.07,12.024,29]dotriaconta-1(19),2,4,5,7,9,11,17,24,26,28,30,31-tridecaene?
The canonical SMILES for 2,4-dioxa-12,14-diazatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,12,13,16,18-octaene;2,4-dioxa-10,12-diazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),10,11,13(17),14-octaene;8-(2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaen-8-ylmethyl)-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaene;8,16-diphenyl-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(14),5(10),6,8,11,12,15,17-octaene;5,21,26,42,47,63-hexaoxa-12,14,33,35,54,56-hexazadecacyclo[44.17.0.04,22.06,11.015,20.025,43.027,32.036,41.048,53.057,62]trihexaconta-6,8,10,12,13,15,17,19,27,29,31,33,34,36,38,40,48,50,52,54,55,57,59,61-tetracosaene;13,16,20,23-tetraoxa-4,6,30,32-tetrazapentacyclo[17.13.0.03,17.07,12.024,29]dotriaconta-1(19),2,4,5,7,9,11,17,24,26,28,30,31-tridecaene is C1=NCc2ccccc2OCOc2ccccc2CN=1.C1=Nc2cc(-c3ccccc3)ccc2OCOc2ccc(-c3ccccc3)cc2N=1.C1=Nc2cccc(c2)OCOc2cccc(c2)N=1.C1=Nc2ccccc2OC2CCC3Oc4ccccc4N=C=Nc4ccccc4OC3CCC3Oc4ccccc4N=C=Nc4ccccc4OC3CCC2Oc2ccccc2N=1.C1=Nc2ccccc2OCCOc2cc3c(cc2N=1)N=C=Nc1ccccc1OCCO3.C1=Nc2ccccc2OCOc2ccc(Cc3ccc4c(c3)N=C=Nc3ccccc3OCO4)cc2N=1.
What is the InChIKey of 2,4-dioxa-12,14-diazatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,12,13,16,18-octaene;2,4-dioxa-10,12-diazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),10,11,13(17),14-octaene;8-(2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaen-8-ylmethyl)-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaene;8,16-diphenyl-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(14),5(10),6,8,11,12,15,17-octaene;5,21,26,42,47,63-hexaoxa-12,14,33,35,54,56-hexazadecacyclo[44.17.0.04,22.06,11.015,20.025,43.027,32.036,41.048,53.057,62]trihexaconta-6,8,10,12,13,15,17,19,27,29,31,33,34,36,38,40,48,50,52,54,55,57,59,61-tetracosaene;13,16,20,23-tetraoxa-4,6,30,32-tetrazapentacyclo[17.13.0.03,17.07,12.024,29]dotriaconta-1(19),2,4,5,7,9,11,17,24,26,28,30,31-tridecaene?
The InChIKey is NDPTVJNOCHWOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42N6O6.C29H20N4O4.C26H18N2O2.C24H18N4O4.C16H14N2O2.C14H10N2O2/c1-7-19-40-34(13-1)52-31-53-35-14-2-8-20-41(35)59-47-27-28-49-51(63-45-24-12-6-18-39(45)57-33-55-37-16-4-10-22-43(37)61-49)30-29-50-48(26-25-46(47)58-40)60-42-21-9-3-15-36(42)54-32-56-38-17-5-11-23-44(38)62-50;1-3-7-26-22(5-1)30-16-32-24-14-20(9-11-28(24)36-18-34-26)13-21-10-12-29-25(15-21)33-17-31-23-6-2-4-8-27(23)35-19-37-29;1-3-7-19(8-4-1)21-11-13-25-23(15-21)27-17-28-24-16-22(20-9-5-2-6-10-20)12-14-26(24)30-18-29-25;1-3-7-21-17(5-1)25-15-27-19-13-20-24(14-23(19)31-11-9-29-21)32-12-10-30-22-8-4-2-6-18(22)26-16-28-20;1-3-7-15-13(5-1)9-17-11-18-10-14-6-2-4-8-16(14)20-12-19-15;1-3-11-7-13(5-1)17-10-18-14-6-2-4-12(8-14)16-9-15-11/h1-24,46-51H,25-30H2;1-12,14-15H,13,18-19H2;1-16H,18H2;1-8,13-14H,9-12H2;1-8H,9-10,12H2;1-8H,10H2.
What are the key properties of 2,4-dioxa-12,14-diazatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,12,13,16,18-octaene;2,4-dioxa-10,12-diazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),10,11,13(17),14-octaene;8-(2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaen-8-ylmethyl)-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaene;8,16-diphenyl-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(14),5(10),6,8,11,12,15,17-octaene;5,21,26,42,47,63-hexaoxa-12,14,33,35,54,56-hexazadecacyclo[44.17.0.04,22.06,11.015,20.025,43.027,32.036,41.048,53.057,62]trihexaconta-6,8,10,12,13,15,17,19,27,29,31,33,34,36,38,40,48,50,52,54,55,57,59,61-tetracosaene;13,16,20,23-tetraoxa-4,6,30,32-tetrazapentacyclo[17.13.0.03,17.07,12.024,29]dotriaconta-1(19),2,4,5,7,9,11,17,24,26,28,30,31-tridecaene?
2,4-dioxa-12,14-diazatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,12,13,16,18-octaene;2,4-dioxa-10,12-diazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),10,11,13(17),14-octaene;8-(2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaen-8-ylmethyl)-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaene;8,16-diphenyl-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(14),5(10),6,8,11,12,15,17-octaene;5,21,26,42,47,63-hexaoxa-12,14,33,35,54,56-hexazadecacyclo[44.17.0.04,22.06,11.015,20.025,43.027,32.036,41.048,53.057,62]trihexaconta-6,8,10,12,13,15,17,19,27,29,31,33,34,36,38,40,48,50,52,54,55,57,59,61-tetracosaene;13,16,20,23-tetraoxa-4,6,30,32-tetrazapentacyclo[17.13.0.03,17.07,12.024,29]dotriaconta-1(19),2,4,5,7,9,11,17,24,26,28,30,31-tridecaene has a molecular weight of 2644.86 g/mol, XLogP of 38.62, 4 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxa-12,14-diazatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,12,13,16,18-octaene;2,4-dioxa-10,12-diazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),10,11,13(17),14-octaene;8-(2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaen-8-ylmethyl)-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(18),5(10),6,8,11,12,14,16-octaene;8,16-diphenyl-2,4-dioxa-11,13-diazatricyclo[12.4.0.05,10]octadeca-1(14),5(10),6,8,11,12,15,17-octaene;5,21,26,42,47,63-hexaoxa-12,14,33,35,54,56-hexazadecacyclo[44.17.0.04,22.06,11.015,20.025,43.027,32.036,41.048,53.057,62]trihexaconta-6,8,10,12,13,15,17,19,27,29,31,33,34,36,38,40,48,50,52,54,55,57,59,61-tetracosaene;13,16,20,23-tetraoxa-4,6,30,32-tetrazapentacyclo[17.13.0.03,17.07,12.024,29]dotriaconta-1(19),2,4,5,7,9,11,17,24,26,28,30,31-tridecaene is sourced from PubChem (CID 159750778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).