18,22-diphenyl-3,6,9,18,22-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-3,6,9,18,23-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-3,6,9,18,28-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-3,6,9,18,29-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),23,25,27-tetradecaene

C152H92N20 — CID 163779506

About 18,22-diphenyl-3,6,9,18,22-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-3,6,9,18,23-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-3,6,9,18,28-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-3,6,9,18,29-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),23,25,27-tetradecaene

18,22-diphenyl-3,6,9,18,22-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-3,6,9,18,23-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-3,6,9,18,28-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-3,6,9,18,29-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),23,25,27-tetradecaene (PubChem CID 163779506) has the molecular formula C152H92N20 and a molecular weight of 2198.55 g/mol. Its IUPAC name is 18,22-diphenyl-3,6,9,18,22-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-3,6,9,18,23-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-3,6,9,18,28-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-3,6,9,18,29-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),23,25,27-tetradecaene.

Molecular Properties

• Compound Name: 18,22-diphenyl-3,6,9,18,22-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-3,6,9,18,23-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-3,6,9,18,28-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-3,6,9,18,29-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),23,25,27-tetradecaene
• PubChem CID: 163779506
• Molecular Formula: C152H92N20
• Molecular Weight: 2198.55 g/mol
• Exact Mass: 2196.78
• IUPAC Name: 18,22-diphenyl-3,6,9,18,22-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-3,6,9,18,23-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-3,6,9,18,28-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-3,6,9,18,29-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),23,25,27-tetradecaene
• SMILES: c1ccc(-n2c3ccc4c5ccccc5n(-c5ccccc5)c4c3c3c2ccc2c4cccnc4c4nccn4c23)cc1.c1ccc(-n2c3ccccc3c3c4c5c(ccc6c7cccnc7c7nccn7c65)n(-c5ccccc5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2c(ccc3c5cccnc5c5nccn5c32)n4-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc4c5c(ccc6c7cccnc7c7nccn7c65)n(-c5ccccc5)c4cc32)cc1
• InChI: InChI=1S/4C38H23N5/c1-3-10-24(11-4-1)42-31-20-18-29-27-15-9-21-39-35(27)38-40-22-23-41(38)36(29)33(31)34-32(42)19-17-28-26-14-7-8-16-30(26)43(37(28)34)25-12-5-2-6-13-25;1-3-10-24(11-4-1)42-29-16-8-7-14-28(29)33-30(42)19-20-31-34(33)35-32(43(31)25-12-5-2-6-13-25)18-17-27-26-15-9-21-39-36(26)38-40-22-23-41(38)37(27)35;1-3-10-24(11-4-1)42-31-16-8-7-14-26(31)29-22-34-30(23-33(29)42)35-32(43(34)25-12-5-2-6-13-25)18-17-28-27-15-9-19-39-36(27)38-40-20-21-41(38)37(28)35;1-3-10-24(11-4-1)42-31-16-8-7-14-26(31)29-22-30-34(23-33(29)42)43(25-12-5-2-6-13-25)32-18-17-28-27-15-9-19-39-36(27)38-40-20-21-41(38)37(28)35(30)32/h4*1-23H
• InChIKey: MNLGVCJQVOVOGD-UHFFFAOYSA-N
• XLogP: 36.92
• TPSA: 160.20 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 8
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2198.55
LogP ≤ 5	36.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18,22-diphenyl-3,6,9,18,22-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-3,6,9,18,23-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-3,6,9,18,28-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-3,6,9,18,29-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),23,25,27-tetradecaene?

The IUPAC name of 18,22-diphenyl-3,6,9,18,22-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-3,6,9,18,23-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-3,6,9,18,28-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-3,6,9,18,29-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),23,25,27-tetradecaene (CID 163779506) is 18,22-diphenyl-3,6,9,18,22-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-3,6,9,18,23-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-3,6,9,18,28-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-3,6,9,18,29-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),23,25,27-tetradecaene.

What is the SMILES notation for 18,22-diphenyl-3,6,9,18,22-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-3,6,9,18,23-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-3,6,9,18,28-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-3,6,9,18,29-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),23,25,27-tetradecaene?

The canonical SMILES for 18,22-diphenyl-3,6,9,18,22-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-3,6,9,18,23-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-3,6,9,18,28-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-3,6,9,18,29-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),23,25,27-tetradecaene is c1ccc(-n2c3ccc4c5ccccc5n(-c5ccccc5)c4c3c3c2ccc2c4cccnc4c4nccn4c23)cc1.c1ccc(-n2c3ccccc3c3c4c5c(ccc6c7cccnc7c7nccn7c65)n(-c5ccccc5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2c(ccc3c5cccnc5c5nccn5c32)n4-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc4c5c(ccc6c7cccnc7c7nccn7c65)n(-c5ccccc5)c4cc32)cc1.

What is the InChIKey of 18,22-diphenyl-3,6,9,18,22-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-3,6,9,18,23-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-3,6,9,18,28-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-3,6,9,18,29-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),23,25,27-tetradecaene?

The InChIKey is MNLGVCJQVOVOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C38H23N5/c1-3-10-24(11-4-1)42-31-20-18-29-27-15-9-21-39-35(27)38-40-22-23-41(38)36(29)33(31)34-32(42)19-17-28-26-14-7-8-16-30(26)43(37(28)34)25-12-5-2-6-13-25;1-3-10-24(11-4-1)42-29-16-8-7-14-28(29)33-30(42)19-20-31-34(33)35-32(43(31)25-12-5-2-6-13-25)18-17-27-26-15-9-21-39-36(26)38-40-22-23-41(38)37(27)35;1-3-10-24(11-4-1)42-31-16-8-7-14-26(31)29-22-34-30(23-33(29)42)35-32(43(34)25-12-5-2-6-13-25)18-17-28-27-15-9-19-39-36(27)38-40-20-21-41(38)37(28)35;1-3-10-24(11-4-1)42-31-16-8-7-14-26(31)29-22-30-34(23-33(29)42)43(25-12-5-2-6-13-25)32-18-17-28-27-15-9-19-39-36(27)38-40-20-21-41(38)37(28)35(30)32/h4*1-23H.

What are the key properties of 18,22-diphenyl-3,6,9,18,22-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-3,6,9,18,23-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-3,6,9,18,28-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-3,6,9,18,29-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),23,25,27-tetradecaene?

18,22-diphenyl-3,6,9,18,22-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-3,6,9,18,23-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-3,6,9,18,28-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-3,6,9,18,29-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),23,25,27-tetradecaene has a molecular weight of 2198.55 g/mol, XLogP of 36.92, 8 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 18,22-diphenyl-3,6,9,18,22-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-3,6,9,18,23-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-3,6,9,18,28-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-3,6,9,18,29-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),23,25,27-tetradecaene is sourced from PubChem (CID 163779506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).