15,15-difluoro-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;15,15-dimethyl-19,23-diphenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;29,29-dimethyl-23-phenyl-4-oxa-23-azaoctacyclo[24.2.1.03,11.05,10.012,28.015,27.016,24.017,22]nonacosa-1,3(11),5,7,9,12(28),13,15(27),16(24),17,19,21,25-tridecaene

C138H90F2N4O4 — CID 162107793

About 15,15-difluoro-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;15,15-dimethyl-19,23-diphenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;29,29-dimethyl-23-phenyl-4-oxa-23-azaoctacyclo[24.2.1.03,11.05,10.012,28.015,27.016,24.017,22]nonacosa-1,3(11),5,7,9,12(28),13,15(27),16(24),17,19,21,25-tridecaene

15,15-difluoro-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;15,15-dimethyl-19,23-diphenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;29,29-dimethyl-23-phenyl-4-oxa-23-azaoctacyclo[24.2.1.03,11.05,10.012,28.015,27.016,24.017,22]nonacosa-1,3(11),5,7,9,12(28),13,15(27),16(24),17,19,21,25-tridecaene (PubChem CID 162107793) has the molecular formula C138H90F2N4O4 and a molecular weight of 1906.26 g/mol. Its IUPAC name is 15,15-difluoro-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;15,15-dimethyl-19,23-diphenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;29,29-dimethyl-23-phenyl-4-oxa-23-azaoctacyclo[24.2.1.03,11.05,10.012,28.015,27.016,24.017,22]nonacosa-1,3(11),5,7,9,12(28),13,15(27),16(24),17,19,21,25-tridecaene.

Molecular Properties

• Compound Name: 15,15-difluoro-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;15,15-dimethyl-19,23-diphenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;29,29-dimethyl-23-phenyl-4-oxa-23-azaoctacyclo[24.2.1.03,11.05,10.012,28.015,27.016,24.017,22]nonacosa-1,3(11),5,7,9,12(28),13,15(27),16(24),17,19,21,25-tridecaene
• PubChem CID: 162107793
• Molecular Formula: C138H90F2N4O4
• Molecular Weight: 1906.26 g/mol
• Exact Mass: 1904.69
• IUPAC Name: 15,15-difluoro-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;15,15-dimethyl-19,23-diphenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;29,29-dimethyl-23-phenyl-4-oxa-23-azaoctacyclo[24.2.1.03,11.05,10.012,28.015,27.016,24.017,22]nonacosa-1,3(11),5,7,9,12(28),13,15(27),16(24),17,19,21,25-tridecaene
• SMILES: CC1(C)c2cc3oc4ccccc4c3c3ccc4c(c1cc1c4c4ccccc4n1-c1ccccc1)c23.CC1(C)c2cc3oc4ccccc4c3cc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c3cc21.CC1(C)c2cc3oc4ccccc4c3cc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21.FC1(F)c2cc3oc4ccccc4c3cc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21
• InChI: InChI=1S/C39H27NO.C35H23NO.C33H23NO.C31H17F2NO/c1-39(2)33-22-36-31(20-28(33)29-21-32-27-15-9-10-16-37(27)41-38(32)23-34(29)39)30-19-25(24-11-5-3-6-12-24)17-18-35(30)40(36)26-13-7-4-8-14-26;1-35(2)25-18-28-31(21-12-6-8-14-27(21)36(28)20-10-4-3-5-11-20)23-16-17-24-32-22-13-7-9-15-29(22)37-30(32)19-26(35)34(24)33(23)25;1-33(2)27-18-30-25(21-12-6-8-14-29(21)34(30)20-10-4-3-5-11-20)16-23(27)24-17-26-22-13-7-9-15-31(22)35-32(26)19-28(24)33;32-31(33)25-16-28-23(19-10-4-6-12-27(19)34(28)18-8-2-1-3-9-18)14-21(25)22-15-24-20-11-5-7-13-29(20)35-30(24)17-26(22)31/h3-23H,1-2H3;3-19H,1-2H3;3-19H,1-2H3;1-17H
• InChIKey: ZFSVNESSLSMCGM-UHFFFAOYSA-N
• XLogP: 38.08
• TPSA: 72.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1906.26
LogP ≤ 5	38.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15,15-difluoro-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;15,15-dimethyl-19,23-diphenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;29,29-dimethyl-23-phenyl-4-oxa-23-azaoctacyclo[24.2.1.03,11.05,10.012,28.015,27.016,24.017,22]nonacosa-1,3(11),5,7,9,12(28),13,15(27),16(24),17,19,21,25-tridecaene?

The IUPAC name of 15,15-difluoro-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;15,15-dimethyl-19,23-diphenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;29,29-dimethyl-23-phenyl-4-oxa-23-azaoctacyclo[24.2.1.03,11.05,10.012,28.015,27.016,24.017,22]nonacosa-1,3(11),5,7,9,12(28),13,15(27),16(24),17,19,21,25-tridecaene (CID 162107793) is 15,15-difluoro-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;15,15-dimethyl-19,23-diphenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;29,29-dimethyl-23-phenyl-4-oxa-23-azaoctacyclo[24.2.1.03,11.05,10.012,28.015,27.016,24.017,22]nonacosa-1,3(11),5,7,9,12(28),13,15(27),16(24),17,19,21,25-tridecaene.

What is the SMILES notation for 15,15-difluoro-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;15,15-dimethyl-19,23-diphenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;29,29-dimethyl-23-phenyl-4-oxa-23-azaoctacyclo[24.2.1.03,11.05,10.012,28.015,27.016,24.017,22]nonacosa-1,3(11),5,7,9,12(28),13,15(27),16(24),17,19,21,25-tridecaene?

The canonical SMILES for 15,15-difluoro-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;15,15-dimethyl-19,23-diphenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;29,29-dimethyl-23-phenyl-4-oxa-23-azaoctacyclo[24.2.1.03,11.05,10.012,28.015,27.016,24.017,22]nonacosa-1,3(11),5,7,9,12(28),13,15(27),16(24),17,19,21,25-tridecaene is CC1(C)c2cc3oc4ccccc4c3c3ccc4c(c1cc1c4c4ccccc4n1-c1ccccc1)c23.CC1(C)c2cc3oc4ccccc4c3cc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c3cc21.CC1(C)c2cc3oc4ccccc4c3cc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21.FC1(F)c2cc3oc4ccccc4c3cc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21.

What is the InChIKey of 15,15-difluoro-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;15,15-dimethyl-19,23-diphenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;29,29-dimethyl-23-phenyl-4-oxa-23-azaoctacyclo[24.2.1.03,11.05,10.012,28.015,27.016,24.017,22]nonacosa-1,3(11),5,7,9,12(28),13,15(27),16(24),17,19,21,25-tridecaene?

The InChIKey is ZFSVNESSLSMCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27NO.C35H23NO.C33H23NO.C31H17F2NO/c1-39(2)33-22-36-31(20-28(33)29-21-32-27-15-9-10-16-37(27)41-38(32)23-34(29)39)30-19-25(24-11-5-3-6-12-24)17-18-35(30)40(36)26-13-7-4-8-14-26;1-35(2)25-18-28-31(21-12-6-8-14-27(21)36(28)20-10-4-3-5-11-20)23-16-17-24-32-22-13-7-9-15-29(22)37-30(32)19-26(35)34(24)33(23)25;1-33(2)27-18-30-25(21-12-6-8-14-29(21)34(30)20-10-4-3-5-11-20)16-23(27)24-17-26-22-13-7-9-15-31(22)35-32(26)19-28(24)33;32-31(33)25-16-28-23(19-10-4-6-12-27(19)34(28)18-8-2-1-3-9-18)14-21(25)22-15-24-20-11-5-7-13-29(20)35-30(24)17-26(22)31/h3-23H,1-2H3;3-19H,1-2H3;3-19H,1-2H3;1-17H.

What are the key properties of 15,15-difluoro-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;15,15-dimethyl-19,23-diphenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;29,29-dimethyl-23-phenyl-4-oxa-23-azaoctacyclo[24.2.1.03,11.05,10.012,28.015,27.016,24.017,22]nonacosa-1,3(11),5,7,9,12(28),13,15(27),16(24),17,19,21,25-tridecaene?

15,15-difluoro-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;15,15-dimethyl-19,23-diphenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;29,29-dimethyl-23-phenyl-4-oxa-23-azaoctacyclo[24.2.1.03,11.05,10.012,28.015,27.016,24.017,22]nonacosa-1,3(11),5,7,9,12(28),13,15(27),16(24),17,19,21,25-tridecaene has a molecular weight of 1906.26 g/mol, XLogP of 38.08, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 15,15-difluoro-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;15,15-dimethyl-19,23-diphenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;29,29-dimethyl-23-phenyl-4-oxa-23-azaoctacyclo[24.2.1.03,11.05,10.012,28.015,27.016,24.017,22]nonacosa-1,3(11),5,7,9,12(28),13,15(27),16(24),17,19,21,25-tridecaene is sourced from PubChem (CID 162107793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).