9-(4,6-dinaphthalen-1-yl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

C192H116N12 — CID 159334755

About 9-(4,6-dinaphthalen-1-yl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

9-(4,6-dinaphthalen-1-yl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (PubChem CID 159334755) has the molecular formula C192H116N12 and a molecular weight of 2591.12 g/mol. Its IUPAC name is 9-(4,6-dinaphthalen-1-yl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

• Compound Name: 9-(4,6-dinaphthalen-1-yl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
• PubChem CID: 159334755
• Molecular Formula: C192H116N12
• Molecular Weight: 2591.12 g/mol
• Exact Mass: 2588.94
• IUPAC Name: 9-(4,6-dinaphthalen-1-yl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
• SMILES: c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)c3)cccc2c1.c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)n3)cccc2c1.c1ccc2c(-c3cc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)nc(-c4cccc5ccccc45)n3)cccc2c1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)n3)ccc2c1
• InChI: InChI=1S/C49H30N2.2C48H29N3.C47H28N4/c1-4-18-35-31(13-1)16-11-24-37(35)34-29-44(40-25-12-17-32-14-2-5-19-36(32)40)50-46(30-34)51-45-26-10-9-23-43(45)48-47-38-20-6-3-15-33(38)27-28-41(47)39-21-7-8-22-42(39)49(48)51;1-4-18-33-30(13-1)16-11-24-37(33)42-29-44(50-48(49-42)40-25-12-17-31-14-2-5-19-34(31)40)51-43-26-10-9-23-41(43)46-45-35-20-6-3-15-32(35)27-28-38(45)36-21-7-8-22-39(36)47(46)51;1-4-18-33-30(13-1)16-11-24-37(33)42-29-43(38-25-12-17-31-14-2-5-19-34(31)38)50-48(49-42)51-44-26-10-9-23-41(44)46-45-35-20-6-3-15-32(35)27-28-39(45)36-21-7-8-22-40(36)47(46)51;1-3-14-32-27-34(23-21-29(32)11-1)45-48-46(35-24-22-30-12-2-4-15-33(30)28-35)50-47(49-45)51-41-20-10-9-19-40(41)43-42-36-16-6-5-13-31(36)25-26-38(42)37-17-7-8-18-39(37)44(43)51/h1-30H;2*1-29H;1-28H
• InChIKey: LFJTXORUJAUBGS-UHFFFAOYSA-N
• XLogP: 50.69
• TPSA: 122.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2591.12
LogP ≤ 5	50.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-dinaphthalen-1-yl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

The IUPAC name of 9-(4,6-dinaphthalen-1-yl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (CID 159334755) is 9-(4,6-dinaphthalen-1-yl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.

What is the SMILES notation for 9-(4,6-dinaphthalen-1-yl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

The canonical SMILES for 9-(4,6-dinaphthalen-1-yl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)c3)cccc2c1.c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)n3)cccc2c1.c1ccc2c(-c3cc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)nc(-c4cccc5ccccc45)n3)cccc2c1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)n3)ccc2c1.

What is the InChIKey of 9-(4,6-dinaphthalen-1-yl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

The InChIKey is LFJTXORUJAUBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2.2C48H29N3.C47H28N4/c1-4-18-35-31(13-1)16-11-24-37(35)34-29-44(40-25-12-17-32-14-2-5-19-36(32)40)50-46(30-34)51-45-26-10-9-23-43(45)48-47-38-20-6-3-15-33(38)27-28-41(47)39-21-7-8-22-42(39)49(48)51;1-4-18-33-30(13-1)16-11-24-37(33)42-29-44(50-48(49-42)40-25-12-17-31-14-2-5-19-34(31)40)51-43-26-10-9-23-41(43)46-45-35-20-6-3-15-32(35)27-28-38(45)36-21-7-8-22-39(36)47(46)51;1-4-18-33-30(13-1)16-11-24-37(33)42-29-43(38-25-12-17-31-14-2-5-19-34(31)38)50-48(49-42)51-44-26-10-9-23-41(44)46-45-35-20-6-3-15-32(35)27-28-39(45)36-21-7-8-22-40(36)47(46)51;1-3-14-32-27-34(23-21-29(32)11-1)45-48-46(35-24-22-30-12-2-4-15-33(30)28-35)50-47(49-45)51-41-20-10-9-19-40(41)43-42-36-16-6-5-13-31(36)25-26-38(42)37-17-7-8-18-39(37)44(43)51/h1-30H;2*1-29H;1-28H.

What are the key properties of 9-(4,6-dinaphthalen-1-yl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

9-(4,6-dinaphthalen-1-yl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene has a molecular weight of 2591.12 g/mol, XLogP of 50.69, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4,6-dinaphthalen-1-yl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 159334755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).