19-phenyl-17-(3-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;19-phenyl-17-(4-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(3-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

C264H164N16O8 — CID 157285542

IUPAC19-phenyl-17-(3-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;19-phenyl-17-(4-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(3-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)c4oc5c6ccccc6c6ccccc6c5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4oc5c6ccccc6ccc5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4oc5cc6ccccc6cc5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4oc5ccc6ccccc6c5c4n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)c4oc5c6ccccc6c6ccccc6c5c4n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)c4oc5c6ccccc6ccc5c4n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)c4oc5cc6ccccc6cc5c4n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)c4oc5ccc6ccccc6c5c4n3)c2)cc1
InChIInChI=1S/2C36H22N2O.6C32H20N2O/c1-3-12-23(13-4-1)25-16-11-17-26(22-25)36-37-32(24-14-5-2-6-15-24)35-33(38-36)31-29-20-9-7-18-27(29)28-19-8-10-21-30(28)34(31)39-35;1-3-11-23(12-4-1)24-19-21-26(22-20-24)36-37-32(25-13-5-2-6-14-25)35-33(38-36)31-29-17-9-7-15-27(29)28-16-8-10-18-30(28)34(31)39-35;1-3-10-21(11-4-1)24-15-9-16-25(20-24)32-33-29(23-13-5-2-6-14-23)31-30(34-32)28-26-17-8-7-12-22(26)18-19-27(28)35-31;1-3-10-21(11-4-1)24-15-9-16-25(20-24)32-33-28(23-13-5-2-6-14-23)31-29(34-32)27-19-18-22-12-7-8-17-26(22)30(27)35-31;1-3-10-21(11-4-1)23-16-9-17-26(18-23)32-33-29(22-12-5-2-6-13-22)31-30(34-32)27-19-24-14-7-8-15-25(24)20-28(27)35-31;1-3-9-21(10-4-1)22-15-17-25(18-16-22)32-33-29(24-12-5-2-6-13-24)31-30(34-32)28-26-14-8-7-11-23(26)19-20-27(28)35-31;1-3-9-21(10-4-1)22-15-17-25(18-16-22)32-33-28(24-12-5-2-6-13-24)31-29(34-32)27-20-19-23-11-7-8-14-26(23)30(27)35-31;1-3-9-21(10-4-1)22-15-17-24(18-16-22)32-33-29(23-11-5-2-6-12-23)31-30(34-32)27-19-25-13-7-8-14-26(25)20-28(27)35-31/h2*1-22H;6*1-20H
InChIKeyBAEMIGFKZRBGFU-UHFFFAOYSA-N
MW3688.32 g/mol
LogP70.55
Rot. Bonds24

About 19-phenyl-17-(3-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;19-phenyl-17-(4-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(3-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

19-phenyl-17-(3-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;19-phenyl-17-(4-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(3-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (PubChem CID 157285542) has the molecular formula C264H164N16O8 and a molecular weight of 3688.32 g/mol. Its IUPAC name is 19-phenyl-17-(3-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;19-phenyl-17-(4-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(3-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.

Molecular Properties

Compound Name19-phenyl-17-(3-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;19-phenyl-17-(4-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(3-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
PubChem CID157285542
Molecular FormulaC264H164N16O8
Molecular Weight3688.32 g/mol
Exact Mass3685.29
IUPAC Name19-phenyl-17-(3-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;19-phenyl-17-(4-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(3-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)c4oc5c6ccccc6c6ccccc6c5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4oc5c6ccccc6ccc5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4oc5cc6ccccc6cc5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4oc5ccc6ccccc6c5c4n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)c4oc5c6ccccc6c6ccccc6c5c4n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)c4oc5c6ccccc6ccc5c4n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)c4oc5cc6ccccc6cc5c4n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)c4oc5ccc6ccccc6c5c4n3)c2)cc1
InChIInChI=1S/2C36H22N2O.6C32H20N2O/c1-3-12-23(13-4-1)25-16-11-17-26(22-25)36-37-32(24-14-5-2-6-15-24)35-33(38-36)31-29-20-9-7-18-27(29)28-19-8-10-21-30(28)34(31)39-35;1-3-11-23(12-4-1)24-19-21-26(22-20-24)36-37-32(25-13-5-2-6-14-25)35-33(38-36)31-29-17-9-7-15-27(29)28-16-8-10-18-30(28)34(31)39-35;1-3-10-21(11-4-1)24-15-9-16-25(20-24)32-33-29(23-13-5-2-6-14-23)31-30(34-32)28-26-17-8-7-12-22(26)18-19-27(28)35-31;1-3-10-21(11-4-1)24-15-9-16-25(20-24)32-33-28(23-13-5-2-6-14-23)31-29(34-32)27-19-18-22-12-7-8-17-26(22)30(27)35-31;1-3-10-21(11-4-1)23-16-9-17-26(18-23)32-33-29(22-12-5-2-6-13-22)31-30(34-32)27-19-24-14-7-8-15-25(24)20-28(27)35-31;1-3-9-21(10-4-1)22-15-17-25(18-16-22)32-33-29(24-12-5-2-6-13-24)31-30(34-32)28-26-14-8-7-11-23(26)19-20-27(28)35-31;1-3-9-21(10-4-1)22-15-17-25(18-16-22)32-33-28(24-12-5-2-6-13-24)31-29(34-32)27-20-19-23-11-7-8-14-26(23)30(27)35-31;1-3-9-21(10-4-1)22-15-17-24(18-16-22)32-33-29(23-11-5-2-6-12-23)31-30(34-32)27-19-25-13-7-8-14-26(25)20-28(27)35-31/h2*1-22H;6*1-20H
InChIKeyBAEMIGFKZRBGFU-UHFFFAOYSA-N
XLogP70.55
TPSA311.36 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003688.32
LogP ≤ 570.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 19-phenyl-17-(3-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;19-phenyl-17-(4-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(3-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene with MolForge

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Related Compounds

13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 129128802
12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;18-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-21-oxa-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 162242682
4-phenyl-2-(4-phenylphenyl)-8-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170397399
13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-15-naphthalen-1-yl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 129128880
19-naphthalen-1-yl-17-[3-(3-phenylphenyl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 129128912
2,4-diphenyl-8-[3-(3-triphenylen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 170397386
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CID 170397397
7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 171051353
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 158921700
2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118229336
13-naphthalen-1-yl-15-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 129128814
19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17-naphthalen-1-yl-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 129128891

Frequently Asked Questions

What is the IUPAC name of 19-phenyl-17-(3-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;19-phenyl-17-(4-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(3-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The IUPAC name of 19-phenyl-17-(3-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;19-phenyl-17-(4-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(3-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (CID 157285542) is 19-phenyl-17-(3-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;19-phenyl-17-(4-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(3-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.
What is the SMILES notation for 19-phenyl-17-(3-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;19-phenyl-17-(4-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(3-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The canonical SMILES for 19-phenyl-17-(3-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;19-phenyl-17-(4-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(3-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4oc5c6ccccc6c6ccccc6c5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4oc5c6ccccc6ccc5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4oc5cc6ccccc6cc5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4oc5ccc6ccccc6c5c4n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)c4oc5c6ccccc6c6ccccc6c5c4n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)c4oc5c6ccccc6ccc5c4n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)c4oc5cc6ccccc6cc5c4n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)c4oc5ccc6ccccc6c5c4n3)c2)cc1.
What is the InChIKey of 19-phenyl-17-(3-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;19-phenyl-17-(4-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(3-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The InChIKey is BAEMIGFKZRBGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H22N2O.6C32H20N2O/c1-3-12-23(13-4-1)25-16-11-17-26(22-25)36-37-32(24-14-5-2-6-15-24)35-33(38-36)31-29-20-9-7-18-27(29)28-19-8-10-21-30(28)34(31)39-35;1-3-11-23(12-4-1)24-19-21-26(22-20-24)36-37-32(25-13-5-2-6-14-25)35-33(38-36)31-29-17-9-7-15-27(29)28-16-8-10-18-30(28)34(31)39-35;1-3-10-21(11-4-1)24-15-9-16-25(20-24)32-33-29(23-13-5-2-6-14-23)31-30(34-32)28-26-17-8-7-12-22(26)18-19-27(28)35-31;1-3-10-21(11-4-1)24-15-9-16-25(20-24)32-33-28(23-13-5-2-6-14-23)31-29(34-32)27-19-18-22-12-7-8-17-26(22)30(27)35-31;1-3-10-21(11-4-1)23-16-9-17-26(18-23)32-33-29(22-12-5-2-6-13-22)31-30(34-32)27-19-24-14-7-8-15-25(24)20-28(27)35-31;1-3-9-21(10-4-1)22-15-17-25(18-16-22)32-33-29(24-12-5-2-6-13-24)31-30(34-32)28-26-14-8-7-11-23(26)19-20-27(28)35-31;1-3-9-21(10-4-1)22-15-17-25(18-16-22)32-33-28(24-12-5-2-6-13-24)31-29(34-32)27-20-19-23-11-7-8-14-26(23)30(27)35-31;1-3-9-21(10-4-1)22-15-17-24(18-16-22)32-33-29(23-11-5-2-6-12-23)31-30(34-32)27-19-25-13-7-8-14-26(25)20-28(27)35-31/h2*1-22H;6*1-20H.
What are the key properties of 19-phenyl-17-(3-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;19-phenyl-17-(4-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(3-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
19-phenyl-17-(3-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;19-phenyl-17-(4-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(3-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene has a molecular weight of 3688.32 g/mol, XLogP of 70.55, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 19-phenyl-17-(3-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;19-phenyl-17-(4-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(3-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is sourced from PubChem (CID 157285542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).