3,18-diphenyl-3,18,21,24-tetrazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene;9,18-diphenyl-9,18,28,31-tetrazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25,27,29-tetradecaene;22,31-diphenyl-10,13,22,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),23,25,27-tetradecaene;28,31-diphenyl-10,13,28,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),22,24,26-tetradecaene

C156H96N16 — CID 163956548

About 3,18-diphenyl-3,18,21,24-tetrazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene;9,18-diphenyl-9,18,28,31-tetrazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25,27,29-tetradecaene;22,31-diphenyl-10,13,22,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),23,25,27-tetradecaene;28,31-diphenyl-10,13,28,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),22,24,26-tetradecaene

3,18-diphenyl-3,18,21,24-tetrazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene;9,18-diphenyl-9,18,28,31-tetrazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25,27,29-tetradecaene;22,31-diphenyl-10,13,22,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),23,25,27-tetradecaene;28,31-diphenyl-10,13,28,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),22,24,26-tetradecaene (PubChem CID 163956548) has the molecular formula C156H96N16 and a molecular weight of 2194.60 g/mol. Its IUPAC name is 3,18-diphenyl-3,18,21,24-tetrazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene;9,18-diphenyl-9,18,28,31-tetrazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25,27,29-tetradecaene;22,31-diphenyl-10,13,22,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),23,25,27-tetradecaene;28,31-diphenyl-10,13,28,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),22,24,26-tetradecaene.

Molecular Properties

• Compound Name: 3,18-diphenyl-3,18,21,24-tetrazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene;9,18-diphenyl-9,18,28,31-tetrazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25,27,29-tetradecaene;22,31-diphenyl-10,13,22,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),23,25,27-tetradecaene;28,31-diphenyl-10,13,28,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),22,24,26-tetradecaene
• PubChem CID: 163956548
• Molecular Formula: C156H96N16
• Molecular Weight: 2194.60 g/mol
• Exact Mass: 2192.80
• IUPAC Name: 3,18-diphenyl-3,18,21,24-tetrazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene;9,18-diphenyl-9,18,28,31-tetrazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25,27,29-tetradecaene;22,31-diphenyl-10,13,22,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),23,25,27-tetradecaene;28,31-diphenyl-10,13,28,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),22,24,26-tetradecaene
• SMILES: c1ccc(-n2c3ccccc3c3c2c2c4ccccc4c4nccn4c2c2c4ccccc4n(-c4ccccc4)c32)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccc5c(c6ccccc6c6nccn56)c4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4c4c(c5ccccc5c5nccn54)c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccc6c(c7ccccc7c7nccn67)c5n(-c5ccccc5)c4c32)cc1
• InChI: InChI=1S/4C39H24N4/c1-3-13-25(14-4-1)42-31-21-11-9-19-29(31)33-34-30-20-10-12-22-32(30)43(26-15-5-2-6-16-26)38(34)37-35(36(33)42)27-17-7-8-18-28(27)39-40-23-24-41(37)39;1-3-13-25(14-4-1)42-32-22-12-10-20-30(32)35-37(42)33-27-17-7-8-18-28(27)39-40-23-24-41(39)36(33)34-29-19-9-11-21-31(29)43(38(34)35)26-15-5-2-6-16-26;1-3-11-25(12-4-1)42-33-18-10-9-15-27(33)29-19-20-31-30-21-22-34-35(28-16-7-8-17-32(28)39-40-23-24-41(34)39)36(30)43(38(31)37(29)42)26-13-5-2-6-14-26;1-3-11-25(12-4-1)42-32-18-10-9-17-31(32)36-34(42)22-20-29-28-19-21-33-35(37(28)43(38(29)36)26-13-5-2-6-14-26)27-15-7-8-16-30(27)39-40-23-24-41(33)39/h4*1-24H
• InChIKey: SDVUIOIQWIDGCB-UHFFFAOYSA-N
• XLogP: 39.34
• TPSA: 108.64 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2194.60
LogP ≤ 5	39.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,18-diphenyl-3,18,21,24-tetrazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene;9,18-diphenyl-9,18,28,31-tetrazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25,27,29-tetradecaene;22,31-diphenyl-10,13,22,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),23,25,27-tetradecaene;28,31-diphenyl-10,13,28,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),22,24,26-tetradecaene?

The IUPAC name of 3,18-diphenyl-3,18,21,24-tetrazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene;9,18-diphenyl-9,18,28,31-tetrazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25,27,29-tetradecaene;22,31-diphenyl-10,13,22,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),23,25,27-tetradecaene;28,31-diphenyl-10,13,28,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),22,24,26-tetradecaene (CID 163956548) is 3,18-diphenyl-3,18,21,24-tetrazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene;9,18-diphenyl-9,18,28,31-tetrazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25,27,29-tetradecaene;22,31-diphenyl-10,13,22,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),23,25,27-tetradecaene;28,31-diphenyl-10,13,28,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),22,24,26-tetradecaene.

What is the SMILES notation for 3,18-diphenyl-3,18,21,24-tetrazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene;9,18-diphenyl-9,18,28,31-tetrazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25,27,29-tetradecaene;22,31-diphenyl-10,13,22,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),23,25,27-tetradecaene;28,31-diphenyl-10,13,28,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),22,24,26-tetradecaene?

The canonical SMILES for 3,18-diphenyl-3,18,21,24-tetrazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene;9,18-diphenyl-9,18,28,31-tetrazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25,27,29-tetradecaene;22,31-diphenyl-10,13,22,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),23,25,27-tetradecaene;28,31-diphenyl-10,13,28,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),22,24,26-tetradecaene is c1ccc(-n2c3ccccc3c3c2c2c4ccccc4c4nccn4c2c2c4ccccc4n(-c4ccccc4)c32)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccc5c(c6ccccc6c6nccn56)c4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4c4c(c5ccccc5c5nccn54)c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccc6c(c7ccccc7c7nccn67)c5n(-c5ccccc5)c4c32)cc1.

What is the InChIKey of 3,18-diphenyl-3,18,21,24-tetrazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene;9,18-diphenyl-9,18,28,31-tetrazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25,27,29-tetradecaene;22,31-diphenyl-10,13,22,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),23,25,27-tetradecaene;28,31-diphenyl-10,13,28,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),22,24,26-tetradecaene?

The InChIKey is SDVUIOIQWIDGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C39H24N4/c1-3-13-25(14-4-1)42-31-21-11-9-19-29(31)33-34-30-20-10-12-22-32(30)43(26-15-5-2-6-16-26)38(34)37-35(36(33)42)27-17-7-8-18-28(27)39-40-23-24-41(37)39;1-3-13-25(14-4-1)42-32-22-12-10-20-30(32)35-37(42)33-27-17-7-8-18-28(27)39-40-23-24-41(39)36(33)34-29-19-9-11-21-31(29)43(38(34)35)26-15-5-2-6-16-26;1-3-11-25(12-4-1)42-33-18-10-9-15-27(33)29-19-20-31-30-21-22-34-35(28-16-7-8-17-32(28)39-40-23-24-41(34)39)36(30)43(38(31)37(29)42)26-13-5-2-6-14-26;1-3-11-25(12-4-1)42-32-18-10-9-17-31(32)36-34(42)22-20-29-28-19-21-33-35(37(28)43(38(29)36)26-13-5-2-6-14-26)27-15-7-8-16-30(27)39-40-23-24-41(33)39/h4*1-24H.

What are the key properties of 3,18-diphenyl-3,18,21,24-tetrazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene;9,18-diphenyl-9,18,28,31-tetrazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25,27,29-tetradecaene;22,31-diphenyl-10,13,22,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),23,25,27-tetradecaene;28,31-diphenyl-10,13,28,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),22,24,26-tetradecaene?

3,18-diphenyl-3,18,21,24-tetrazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene;9,18-diphenyl-9,18,28,31-tetrazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25,27,29-tetradecaene;22,31-diphenyl-10,13,22,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),23,25,27-tetradecaene;28,31-diphenyl-10,13,28,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),22,24,26-tetradecaene has a molecular weight of 2194.60 g/mol, XLogP of 39.34, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3,18-diphenyl-3,18,21,24-tetrazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene;9,18-diphenyl-9,18,28,31-tetrazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25,27,29-tetradecaene;22,31-diphenyl-10,13,22,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),23,25,27-tetradecaene;28,31-diphenyl-10,13,28,31-tetrazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),3,5,7,9,11,15,18(30),19,21(29),22,24,26-tetradecaene is sourced from PubChem (CID 163956548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).