21,31-diphenyl-3,6,11,21,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-diphenyl-3,6,11,22,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;27,31-diphenyl-3,6,11,27,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-diphenyl-3,6,11,28,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene

C152H92N20 — CID 163457763

About 21,31-diphenyl-3,6,11,21,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-diphenyl-3,6,11,22,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;27,31-diphenyl-3,6,11,27,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-diphenyl-3,6,11,28,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene

21,31-diphenyl-3,6,11,21,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-diphenyl-3,6,11,22,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;27,31-diphenyl-3,6,11,27,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-diphenyl-3,6,11,28,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene (PubChem CID 163457763) has the molecular formula C152H92N20 and a molecular weight of 2198.55 g/mol. Its IUPAC name is 21,31-diphenyl-3,6,11,21,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-diphenyl-3,6,11,22,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;27,31-diphenyl-3,6,11,27,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-diphenyl-3,6,11,28,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene.

Molecular Properties

• Compound Name: 21,31-diphenyl-3,6,11,21,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-diphenyl-3,6,11,22,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;27,31-diphenyl-3,6,11,27,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-diphenyl-3,6,11,28,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene
• PubChem CID: 163457763
• Molecular Formula: C152H92N20
• Molecular Weight: 2198.55 g/mol
• Exact Mass: 2196.78
• IUPAC Name: 21,31-diphenyl-3,6,11,21,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-diphenyl-3,6,11,22,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;27,31-diphenyl-3,6,11,27,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-diphenyl-3,6,11,28,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene
• SMILES: c1ccc(-n2c3ccccc3c3c2ccc2c4ccc5c6cnccc6c6nccn6c5c4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccc3c5cnccc5c5nccn5c3c2n4-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccc6c7cnccc7c7nccn7c6c5n(-c5ccccc5)c4cc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccc6c7cnccc7c7nccn7c6c5n(-c5ccccc5)c4c32)cc1
• InChI: InChI=1S/4C38H23N5/c1-3-9-24(10-4-1)42-33-14-8-7-13-26(33)30-21-35-31(22-34(30)42)27-15-16-28-32-23-39-18-17-29(32)38-40-19-20-41(38)36(28)37(27)43(35)25-11-5-2-6-12-25;1-3-9-24(10-4-1)42-33-14-8-7-13-26(33)30-21-31-27-15-16-28-32-23-39-18-17-29(32)38-40-19-20-41(38)36(28)37(27)43(35(31)22-34(30)42)25-11-5-2-6-12-25;1-3-9-24(10-4-1)42-32-14-8-7-13-30(32)34-33(42)18-17-26-27-15-16-28-31-23-39-20-19-29(31)38-40-21-22-41(38)36(28)37(27)43(35(26)34)25-11-5-2-6-12-25;1-3-9-24(10-4-1)42-33-14-8-7-13-26(33)27-15-16-29-28-17-18-30-32-23-39-20-19-31(32)38-40-21-22-41(38)34(30)35(28)43(37(29)36(27)42)25-11-5-2-6-12-25/h4*1-23H
• InChIKey: BLXSJKOQYPAYCL-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 21,31-diphenyl-3,6,11,21,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-diphenyl-3,6,11,22,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;27,31-diphenyl-3,6,11,27,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-diphenyl-3,6,11,28,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene?

The IUPAC name of 21,31-diphenyl-3,6,11,21,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-diphenyl-3,6,11,22,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;27,31-diphenyl-3,6,11,27,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-diphenyl-3,6,11,28,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene (CID 163457763) is 21,31-diphenyl-3,6,11,21,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-diphenyl-3,6,11,22,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;27,31-diphenyl-3,6,11,27,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-diphenyl-3,6,11,28,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene.

What is the SMILES notation for 21,31-diphenyl-3,6,11,21,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-diphenyl-3,6,11,22,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;27,31-diphenyl-3,6,11,27,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-diphenyl-3,6,11,28,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene?

The canonical SMILES for 21,31-diphenyl-3,6,11,21,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-diphenyl-3,6,11,22,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;27,31-diphenyl-3,6,11,27,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-diphenyl-3,6,11,28,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene is c1ccc(-n2c3ccccc3c3c2ccc2c4ccc5c6cnccc6c6nccn6c5c4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccc3c5cnccc5c5nccn5c3c2n4-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccc6c7cnccc7c7nccn7c6c5n(-c5ccccc5)c4cc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccc6c7cnccc7c7nccn7c6c5n(-c5ccccc5)c4c32)cc1.

What is the InChIKey of 21,31-diphenyl-3,6,11,21,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-diphenyl-3,6,11,22,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;27,31-diphenyl-3,6,11,27,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-diphenyl-3,6,11,28,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene?

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

What are the key properties of 21,31-diphenyl-3,6,11,21,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-diphenyl-3,6,11,22,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;27,31-diphenyl-3,6,11,27,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-diphenyl-3,6,11,28,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene?

21,31-diphenyl-3,6,11,21,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-diphenyl-3,6,11,22,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;27,31-diphenyl-3,6,11,27,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-diphenyl-3,6,11,28,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-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 21,31-diphenyl-3,6,11,21,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-diphenyl-3,6,11,22,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;27,31-diphenyl-3,6,11,27,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-diphenyl-3,6,11,28,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene is sourced from PubChem (CID 163457763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).