9-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-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-naphthalen-2-yl-4-phenyl-2-pyridinyl)phenyl]-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-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

C154H95N9 — CID 160849341

About 9-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-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-naphthalen-2-yl-4-phenyl-2-pyridinyl)phenyl]-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-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-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-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-naphthalen-2-yl-4-phenyl-2-pyridinyl)phenyl]-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-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 160849341) has the molecular formula C154H95N9 and a molecular weight of 2071.52 g/mol. Its IUPAC name is 9-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-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-naphthalen-2-yl-4-phenyl-2-pyridinyl)phenyl]-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-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-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-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-naphthalen-2-yl-4-phenyl-2-pyridinyl)phenyl]-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-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: 160849341
• Molecular Formula: C154H95N9
• Molecular Weight: 2071.52 g/mol
• Exact Mass: 2069.77
• IUPAC Name: 9-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-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-naphthalen-2-yl-4-phenyl-2-pyridinyl)phenyl]-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-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: c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)cc3)nc(-c3ccc4ccccc4c3)c2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc2c(-c3nc(-c4ccc(-n5c6ccccc6c6c7c8ccccc8ccc7c7ccccc7c65)cc4)nc(-c4cccc5ccccc45)n3)cccc2c1
• InChI: InChI=1S/C53H32N4.C51H32N2.C50H31N3/c1-4-18-38-33(13-1)16-11-24-44(38)52-54-51(55-53(56-52)45-25-12-17-34-14-2-5-19-39(34)45)36-27-30-37(31-28-36)57-47-26-10-9-23-46(47)49-48-40-20-6-3-15-35(40)29-32-42(48)41-21-7-8-22-43(41)50(49)57;1-2-12-33(13-3-1)39-31-46(52-47(32-39)38-23-22-34-14-4-5-16-37(34)30-38)36-24-27-40(28-25-36)53-48-21-11-10-20-45(48)50-49-41-17-7-6-15-35(41)26-29-43(49)42-18-8-9-19-44(42)51(50)53;1-2-14-34(15-3-1)44-31-45(52-50(51-44)37-23-22-32-12-4-5-16-36(32)30-37)35-24-27-38(28-25-35)53-46-21-11-10-20-43(46)48-47-39-17-7-6-13-33(39)26-29-41(47)40-18-8-9-19-42(40)49(48)53/h1-32H;1-32H;1-31H
• InChIKey: SJBATOHZQRZVDY-UHFFFAOYSA-N
• XLogP: 40.72
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2071.52
LogP ≤ 5	40.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-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-naphthalen-2-yl-4-phenyl-2-pyridinyl)phenyl]-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-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-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-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-naphthalen-2-yl-4-phenyl-2-pyridinyl)phenyl]-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-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 160849341) is 9-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-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-naphthalen-2-yl-4-phenyl-2-pyridinyl)phenyl]-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-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-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-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-naphthalen-2-yl-4-phenyl-2-pyridinyl)phenyl]-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-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-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-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-naphthalen-2-yl-4-phenyl-2-pyridinyl)phenyl]-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-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 c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)cc3)nc(-c3ccc4ccccc4c3)c2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc2c(-c3nc(-c4ccc(-n5c6ccccc6c6c7c8ccccc8ccc7c7ccccc7c65)cc4)nc(-c4cccc5ccccc45)n3)cccc2c1.

What is the InChIKey of 9-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-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-naphthalen-2-yl-4-phenyl-2-pyridinyl)phenyl]-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-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 SJBATOHZQRZVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4.C51H32N2.C50H31N3/c1-4-18-38-33(13-1)16-11-24-44(38)52-54-51(55-53(56-52)45-25-12-17-34-14-2-5-19-39(34)45)36-27-30-37(31-28-36)57-47-26-10-9-23-46(47)49-48-40-20-6-3-15-35(40)29-32-42(48)41-21-7-8-22-43(41)50(49)57;1-2-12-33(13-3-1)39-31-46(52-47(32-39)38-23-22-34-14-4-5-16-37(34)30-38)36-24-27-40(28-25-36)53-48-21-11-10-20-45(48)50-49-41-17-7-6-15-35(41)26-29-43(49)42-18-8-9-19-44(42)51(50)53;1-2-14-34(15-3-1)44-31-45(52-50(51-44)37-23-22-32-12-4-5-16-36(32)30-37)35-24-27-38(28-25-35)53-46-21-11-10-20-43(46)48-47-39-17-7-6-13-33(39)26-29-41(47)40-18-8-9-19-42(40)49(48)53/h1-32H;1-32H;1-31H.

What are the key properties of 9-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-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-naphthalen-2-yl-4-phenyl-2-pyridinyl)phenyl]-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-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-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-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-naphthalen-2-yl-4-phenyl-2-pyridinyl)phenyl]-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-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 2071.52 g/mol, XLogP of 40.72, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-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-naphthalen-2-yl-4-phenyl-2-pyridinyl)phenyl]-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-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 160849341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).