4,24-diphenyl-4,19,24-triazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;10,24-diphenyl-10,19,24-triazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene;16-phenyl-9,16-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene

C140H86N10 — CID 159312141

About 4,24-diphenyl-4,19,24-triazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;10,24-diphenyl-10,19,24-triazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene;16-phenyl-9,16-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene

4,24-diphenyl-4,19,24-triazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;10,24-diphenyl-10,19,24-triazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene;16-phenyl-9,16-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene (PubChem CID 159312141) has the molecular formula C140H86N10 and a molecular weight of 1908.30 g/mol. Its IUPAC name is 4,24-diphenyl-4,19,24-triazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;10,24-diphenyl-10,19,24-triazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene;16-phenyl-9,16-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene.

Molecular Properties

• Compound Name: 4,24-diphenyl-4,19,24-triazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;10,24-diphenyl-10,19,24-triazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene;16-phenyl-9,16-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
• PubChem CID: 159312141
• Molecular Formula: C140H86N10
• Molecular Weight: 1908.30 g/mol
• Exact Mass: 1906.70
• IUPAC Name: 4,24-diphenyl-4,19,24-triazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;10,24-diphenyl-10,19,24-triazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene;16-phenyl-9,16-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ncccc2c2ccc3c(c5ccccc5n3-c3ccccc3)c24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ncccc2c2ccc3c5ccccc5n(-c5ccccc5)c3c24)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5c5ncccc5c4cc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5c5ncccc5c4c32)cc1
• InChI: InChI=1S/2C41H25N3.2C29H18N2/c1-3-12-26(13-4-1)43-36-19-9-8-17-29(36)33-24-34-35(25-38(33)43)40-31(18-11-23-42-40)30-21-22-32-28-16-7-10-20-37(28)44(41(32)39(30)34)27-14-5-2-6-15-27;1-3-12-26(13-4-1)43-36-20-10-8-17-31(36)40-37(43)22-21-29-30-18-11-23-42-41(30)34-25-38-32(24-33(34)39(29)40)28-16-7-9-19-35(28)44(38)27-14-5-2-6-15-27;1-2-9-19(10-3-1)31-26-15-7-6-12-21(26)24-17-16-22-20-11-4-5-13-23(20)28-25(14-8-18-30-28)27(22)29(24)31;1-2-9-19(10-3-1)31-27-15-7-6-12-21(27)26-17-24-20-11-4-5-13-22(20)29-23(14-8-16-30-29)25(24)18-28(26)31/h2*1-25H;2*1-18H
• InChIKey: LCRJKOLKMYHZOR-UHFFFAOYSA-N
• XLogP: 36.75
• TPSA: 81.14 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1908.30
LogP ≤ 5	36.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,24-diphenyl-4,19,24-triazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;10,24-diphenyl-10,19,24-triazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene;16-phenyl-9,16-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene?

The IUPAC name of 4,24-diphenyl-4,19,24-triazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;10,24-diphenyl-10,19,24-triazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene;16-phenyl-9,16-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene (CID 159312141) is 4,24-diphenyl-4,19,24-triazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;10,24-diphenyl-10,19,24-triazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene;16-phenyl-9,16-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene.

What is the SMILES notation for 4,24-diphenyl-4,19,24-triazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;10,24-diphenyl-10,19,24-triazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene;16-phenyl-9,16-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene?

The canonical SMILES for 4,24-diphenyl-4,19,24-triazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;10,24-diphenyl-10,19,24-triazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene;16-phenyl-9,16-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ncccc2c2ccc3c(c5ccccc5n3-c3ccccc3)c24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ncccc2c2ccc3c5ccccc5n(-c5ccccc5)c3c24)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5c5ncccc5c4cc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5c5ncccc5c4c32)cc1.

What is the InChIKey of 4,24-diphenyl-4,19,24-triazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;10,24-diphenyl-10,19,24-triazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene;16-phenyl-9,16-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene?

The InChIKey is LCRJKOLKMYHZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H25N3.2C29H18N2/c1-3-12-26(13-4-1)43-36-19-9-8-17-29(36)33-24-34-35(25-38(33)43)40-31(18-11-23-42-40)30-21-22-32-28-16-7-10-20-37(28)44(41(32)39(30)34)27-14-5-2-6-15-27;1-3-12-26(13-4-1)43-36-20-10-8-17-31(36)40-37(43)22-21-29-30-18-11-23-42-41(30)34-25-38-32(24-33(34)39(29)40)28-16-7-9-19-35(28)44(38)27-14-5-2-6-15-27;1-2-9-19(10-3-1)31-26-15-7-6-12-21(26)24-17-16-22-20-11-4-5-13-23(20)28-25(14-8-18-30-28)27(22)29(24)31;1-2-9-19(10-3-1)31-27-15-7-6-12-21(27)26-17-24-20-11-4-5-13-22(20)29-23(14-8-16-30-29)25(24)18-28(26)31/h2*1-25H;2*1-18H.

What are the key properties of 4,24-diphenyl-4,19,24-triazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;10,24-diphenyl-10,19,24-triazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene;16-phenyl-9,16-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene?

4,24-diphenyl-4,19,24-triazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;10,24-diphenyl-10,19,24-triazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene;16-phenyl-9,16-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene has a molecular weight of 1908.30 g/mol, XLogP of 36.75, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4,24-diphenyl-4,19,24-triazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;10,24-diphenyl-10,19,24-triazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene;16-phenyl-9,16-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene is sourced from PubChem (CID 159312141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).