12-[4-(3,5-diphenylphenyl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C132H81N9O3 — CID 158513382

About 12-[4-(3,5-diphenylphenyl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

12-[4-(3,5-diphenylphenyl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 158513382) has the molecular formula C132H81N9O3 and a molecular weight of 1841.16 g/mol. Its IUPAC name is 12-[4-(3,5-diphenylphenyl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 12-[4-(3,5-diphenylphenyl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• PubChem CID: 158513382
• Molecular Formula: C132H81N9O3
• Molecular Weight: 1841.16 g/mol
• Exact Mass: 1839.65
• IUPAC Name: 12-[4-(3,5-diphenylphenyl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5cc6ccccc6cc5c5cc6oc7ccccc7c6cc54)cc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7oc6c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6c6ccccc6c54)cc3)n2)cc1
• InChI: InChI=1S/C46H29NO.2C43H26N4O/c1-3-11-30(12-4-1)35-23-36(31-13-5-2-6-14-31)25-37(24-35)32-19-21-38(22-20-32)47-43-27-34-16-8-7-15-33(34)26-40(43)41-29-46-42(28-44(41)47)39-17-9-10-18-45(39)48-46;1-3-13-27(14-4-1)41-44-42(28-15-5-2-6-16-28)46-43(45-41)29-23-25-30(26-24-29)47-35-21-11-9-19-33(35)38-39(47)32-18-8-7-17-31(32)37-34-20-10-12-22-36(34)48-40(37)38;1-3-13-27(14-4-1)41-44-42(28-15-5-2-6-16-28)46-43(45-41)29-23-25-30(26-24-29)47-35-21-11-9-19-33(35)37-31-17-7-8-18-32(31)38-34-20-10-12-22-36(34)48-40(38)39(37)47/h1-29H;2*1-26H
• InChIKey: HLIGUUUQVONCNM-UHFFFAOYSA-N
• XLogP: 34.88
• TPSA: 131.55 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1841.16
LogP ≤ 5	34.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 12-[4-(3,5-diphenylphenyl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The IUPAC name of 12-[4-(3,5-diphenylphenyl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 158513382) is 12-[4-(3,5-diphenylphenyl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 12-[4-(3,5-diphenylphenyl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The canonical SMILES for 12-[4-(3,5-diphenylphenyl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5cc6ccccc6cc5c5cc6oc7ccccc7c6cc54)cc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7oc6c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6c6ccccc6c54)cc3)n2)cc1.

What is the InChIKey of 12-[4-(3,5-diphenylphenyl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The InChIKey is HLIGUUUQVONCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO.2C43H26N4O/c1-3-11-30(12-4-1)35-23-36(31-13-5-2-6-14-31)25-37(24-35)32-19-21-38(22-20-32)47-43-27-34-16-8-7-15-33(34)26-40(43)41-29-46-42(28-44(41)47)39-17-9-10-18-45(39)48-46;1-3-13-27(14-4-1)41-44-42(28-15-5-2-6-16-28)46-43(45-41)29-23-25-30(26-24-29)47-35-21-11-9-19-33(35)38-39(47)32-18-8-7-17-31(32)37-34-20-10-12-22-36(34)48-40(37)38;1-3-13-27(14-4-1)41-44-42(28-15-5-2-6-16-28)46-43(45-41)29-23-25-30(26-24-29)47-35-21-11-9-19-33(35)37-31-17-7-8-18-32(31)38-34-20-10-12-22-36(34)48-40(38)39(37)47/h1-29H;2*1-26H.

What are the key properties of 12-[4-(3,5-diphenylphenyl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

12-[4-(3,5-diphenylphenyl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 1841.16 g/mol, XLogP of 34.88, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-(3,5-diphenylphenyl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 158513382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).