19-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-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;19-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-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

C119H73N7 — CID 157070379

About 19-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-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;19-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-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

19-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-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;19-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-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 157070379) has the molecular formula C119H73N7 and a molecular weight of 1600.94 g/mol. Its IUPAC name is 19-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-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;19-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-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: 19-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-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;19-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-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: 157070379
• Molecular Formula: C119H73N7
• Molecular Weight: 1600.94 g/mol
• Exact Mass: 1599.59
• IUPAC Name: 19-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-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;19-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-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(-n2c3ccccc3c3c4c5ccccc5c(-c5ccc(-c6nc(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)n6)cc5)cc4c4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5c(-c5ccc(-c6nc(-c7cccc8ccccc78)nc(-c7cccc8ccccc78)n6)cc5)cc4c4ccccc4c32)cc1
• InChI: InChI=1S/C60H37N3.C59H36N4/c1-2-20-42(21-3-1)63-56-31-13-12-28-51(56)58-57-49-26-10-8-24-45(49)52(36-53(57)46-25-9-11-27-50(46)59(58)63)40-32-34-41(35-33-40)60-61-54(47-29-14-18-38-16-4-6-22-43(38)47)37-55(62-60)48-30-15-19-39-17-5-7-23-44(39)48;1-2-20-41(21-3-1)63-53-31-13-12-28-50(53)55-54-46-26-10-8-24-44(46)51(36-52(54)45-25-9-11-27-47(45)56(55)63)39-32-34-40(35-33-39)57-60-58(48-29-14-18-37-16-4-6-22-42(37)48)62-59(61-57)49-30-15-19-38-17-5-7-23-43(38)49/h1-37H;1-36H
• InChIKey: ACIXMOCEKNDVCN-UHFFFAOYSA-N
• XLogP: 31.41
• TPSA: 74.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1600.94
LogP ≤ 5	31.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 19-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-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;19-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-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 19-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-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;19-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-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 157070379) is 19-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-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;19-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-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 19-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-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;19-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-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 19-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-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;19-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-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(-n2c3ccccc3c3c4c5ccccc5c(-c5ccc(-c6nc(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)n6)cc5)cc4c4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5c(-c5ccc(-c6nc(-c7cccc8ccccc78)nc(-c7cccc8ccccc78)n6)cc5)cc4c4ccccc4c32)cc1.

What is the InChIKey of 19-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-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;19-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-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 ACIXMOCEKNDVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3.C59H36N4/c1-2-20-42(21-3-1)63-56-31-13-12-28-51(56)58-57-49-26-10-8-24-45(49)52(36-53(57)46-25-9-11-27-50(46)59(58)63)40-32-34-41(35-33-40)60-61-54(47-29-14-18-38-16-4-6-22-43(38)47)37-55(62-60)48-30-15-19-39-17-5-7-23-44(39)48;1-2-20-41(21-3-1)63-53-31-13-12-28-50(53)55-54-46-26-10-8-24-44(46)51(36-52(54)45-25-9-11-27-47(45)56(55)63)39-32-34-40(35-33-39)57-60-58(48-29-14-18-37-16-4-6-22-42(37)48)62-59(61-57)49-30-15-19-38-17-5-7-23-43(38)49/h1-37H;1-36H.

What are the key properties of 19-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-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;19-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-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?

19-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-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;19-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-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 1600.94 g/mol, XLogP of 31.41, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 19-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-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;19-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-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 157070379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).