9,12-diphenyl-9,12,21,24,28-pentazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26(31),27,29-tetradecaene;9,18-diphenyl-9,18,24,28,31-pentazaoctacyclo[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(26),22,24,27,29-tetradecaene;18,21-diphenyl-3,6,10,18,21-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,27-diphenyl-3,6,10,18,27-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),21,23,25,29-tetradecaene

C152H92N20 — CID 163761299

About 9,12-diphenyl-9,12,21,24,28-pentazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26(31),27,29-tetradecaene;9,18-diphenyl-9,18,24,28,31-pentazaoctacyclo[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(26),22,24,27,29-tetradecaene;18,21-diphenyl-3,6,10,18,21-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,27-diphenyl-3,6,10,18,27-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),21,23,25,29-tetradecaene

9,12-diphenyl-9,12,21,24,28-pentazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26(31),27,29-tetradecaene;9,18-diphenyl-9,18,24,28,31-pentazaoctacyclo[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(26),22,24,27,29-tetradecaene;18,21-diphenyl-3,6,10,18,21-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,27-diphenyl-3,6,10,18,27-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),21,23,25,29-tetradecaene (PubChem CID 163761299) has the molecular formula C152H92N20 and a molecular weight of 2198.55 g/mol. Its IUPAC name is 9,12-diphenyl-9,12,21,24,28-pentazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26(31),27,29-tetradecaene;9,18-diphenyl-9,18,24,28,31-pentazaoctacyclo[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(26),22,24,27,29-tetradecaene;18,21-diphenyl-3,6,10,18,21-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,27-diphenyl-3,6,10,18,27-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),21,23,25,29-tetradecaene.

Molecular Properties

• Compound Name: 9,12-diphenyl-9,12,21,24,28-pentazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26(31),27,29-tetradecaene;9,18-diphenyl-9,18,24,28,31-pentazaoctacyclo[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(26),22,24,27,29-tetradecaene;18,21-diphenyl-3,6,10,18,21-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,27-diphenyl-3,6,10,18,27-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),21,23,25,29-tetradecaene
• PubChem CID: 163761299
• Molecular Formula: C152H92N20
• Molecular Weight: 2198.55 g/mol
• Exact Mass: 2196.78
• IUPAC Name: 9,12-diphenyl-9,12,21,24,28-pentazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26(31),27,29-tetradecaene;9,18-diphenyl-9,18,24,28,31-pentazaoctacyclo[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(26),22,24,27,29-tetradecaene;18,21-diphenyl-3,6,10,18,21-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,27-diphenyl-3,6,10,18,27-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),21,23,25,29-tetradecaene
• SMILES: c1ccc(-n2c3ccccc3c3c2c2c4ccncc4c4nccn4c2c2c4ccccc4n(-c4ccccc4)c32)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4c(ccc5c6ccncc6c6nccn6c54)n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3c4c5ccncc5c5nccn5c4c4c5ccccc5n(-c5ccccc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5c(ccc6c7ccncc7c7nccn7c65)n(-c5ccccc5)c4c32)cc1
• InChI: InChI=1S/4C38H23N5/c1-3-11-24(12-4-1)42-31-18-10-8-16-28(31)34-36(42)32-26-19-20-39-23-29(26)38-40-21-22-41(38)35(32)33-27-15-7-9-17-30(27)43(37(33)34)25-13-5-2-6-14-25;1-3-11-24(12-4-1)42-30-17-9-7-15-27(30)33-32-26-19-20-39-23-29(26)38-40-21-22-41(38)35(32)34-28-16-8-10-18-31(28)43(37(34)36(33)42)25-13-5-2-6-14-25;1-3-9-24(10-4-1)42-31-14-8-7-13-28(31)34-32(42)18-16-29-35-33(43(37(29)34)25-11-5-2-6-12-25)17-15-27-26-19-20-39-23-30(26)38-40-21-22-41(38)36(27)35;1-3-9-24(10-4-1)42-32-14-8-7-13-27(32)29-15-16-30-34-33(43(37(30)36(29)42)25-11-5-2-6-12-25)18-17-28-26-19-20-39-23-31(26)38-40-21-22-41(38)35(28)34/h4*1-23H
• InChIKey: LYKMUQAJAHDNEJ-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 9,12-diphenyl-9,12,21,24,28-pentazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26(31),27,29-tetradecaene;9,18-diphenyl-9,18,24,28,31-pentazaoctacyclo[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(26),22,24,27,29-tetradecaene;18,21-diphenyl-3,6,10,18,21-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,27-diphenyl-3,6,10,18,27-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),21,23,25,29-tetradecaene?

The IUPAC name of 9,12-diphenyl-9,12,21,24,28-pentazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26(31),27,29-tetradecaene;9,18-diphenyl-9,18,24,28,31-pentazaoctacyclo[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(26),22,24,27,29-tetradecaene;18,21-diphenyl-3,6,10,18,21-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,27-diphenyl-3,6,10,18,27-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),21,23,25,29-tetradecaene (CID 163761299) is 9,12-diphenyl-9,12,21,24,28-pentazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26(31),27,29-tetradecaene;9,18-diphenyl-9,18,24,28,31-pentazaoctacyclo[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(26),22,24,27,29-tetradecaene;18,21-diphenyl-3,6,10,18,21-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,27-diphenyl-3,6,10,18,27-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),21,23,25,29-tetradecaene.

What is the SMILES notation for 9,12-diphenyl-9,12,21,24,28-pentazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26(31),27,29-tetradecaene;9,18-diphenyl-9,18,24,28,31-pentazaoctacyclo[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(26),22,24,27,29-tetradecaene;18,21-diphenyl-3,6,10,18,21-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,27-diphenyl-3,6,10,18,27-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),21,23,25,29-tetradecaene?

The canonical SMILES for 9,12-diphenyl-9,12,21,24,28-pentazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26(31),27,29-tetradecaene;9,18-diphenyl-9,18,24,28,31-pentazaoctacyclo[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(26),22,24,27,29-tetradecaene;18,21-diphenyl-3,6,10,18,21-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,27-diphenyl-3,6,10,18,27-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),21,23,25,29-tetradecaene is c1ccc(-n2c3ccccc3c3c2c2c4ccncc4c4nccn4c2c2c4ccccc4n(-c4ccccc4)c32)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4c(ccc5c6ccncc6c6nccn6c54)n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3c4c5ccncc5c5nccn5c4c4c5ccccc5n(-c5ccccc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5c(ccc6c7ccncc7c7nccn7c65)n(-c5ccccc5)c4c32)cc1.

What is the InChIKey of 9,12-diphenyl-9,12,21,24,28-pentazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26(31),27,29-tetradecaene;9,18-diphenyl-9,18,24,28,31-pentazaoctacyclo[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(26),22,24,27,29-tetradecaene;18,21-diphenyl-3,6,10,18,21-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,27-diphenyl-3,6,10,18,27-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),21,23,25,29-tetradecaene?

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

What are the key properties of 9,12-diphenyl-9,12,21,24,28-pentazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26(31),27,29-tetradecaene;9,18-diphenyl-9,18,24,28,31-pentazaoctacyclo[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(26),22,24,27,29-tetradecaene;18,21-diphenyl-3,6,10,18,21-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,27-diphenyl-3,6,10,18,27-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),21,23,25,29-tetradecaene?

9,12-diphenyl-9,12,21,24,28-pentazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26(31),27,29-tetradecaene;9,18-diphenyl-9,18,24,28,31-pentazaoctacyclo[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(26),22,24,27,29-tetradecaene;18,21-diphenyl-3,6,10,18,21-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,27-diphenyl-3,6,10,18,27-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),21,23,25,29-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 9,12-diphenyl-9,12,21,24,28-pentazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26(31),27,29-tetradecaene;9,18-diphenyl-9,18,24,28,31-pentazaoctacyclo[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(26),22,24,27,29-tetradecaene;18,21-diphenyl-3,6,10,18,21-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,27-diphenyl-3,6,10,18,27-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20(28),21,23,25,29-tetradecaene is sourced from PubChem (CID 163761299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).