19-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-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-naphthalen-2-yl-6-phenylpyrimidin-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-naphthalen-2-yl-6-phenyl-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

C167H104N10 — CID 158401390

About 19-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-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-naphthalen-2-yl-6-phenylpyrimidin-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-naphthalen-2-yl-6-phenyl-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-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-naphthalen-2-yl-6-phenylpyrimidin-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-naphthalen-2-yl-6-phenyl-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 158401390) has the molecular formula C167H104N10 and a molecular weight of 2250.74 g/mol. Its IUPAC name is 19-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-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-naphthalen-2-yl-6-phenylpyrimidin-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-naphthalen-2-yl-6-phenyl-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-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-naphthalen-2-yl-6-phenylpyrimidin-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-naphthalen-2-yl-6-phenyl-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: 158401390
• Molecular Formula: C167H104N10
• Molecular Weight: 2250.74 g/mol
• Exact Mass: 2248.84
• IUPAC Name: 19-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-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-naphthalen-2-yl-6-phenylpyrimidin-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-naphthalen-2-yl-6-phenyl-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(-c2cc(-c3ccc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)cc3)nc(-c3ccc4ccccc4c3)n2)cc1
• InChI: InChI=1S/2C56H35N3.C55H34N4/c1-3-16-38(17-4-1)50-35-51(41-32-27-36-15-7-8-18-40(36)33-41)58-56(57-50)39-30-28-37(29-31-39)48-34-49-44-22-10-12-24-46(44)55-54(53(49)45-23-11-9-21-43(45)48)47-25-13-14-26-52(47)59(55)42-19-5-2-6-20-42;1-3-16-38(17-4-1)50-35-51(58-56(57-50)41-32-27-36-15-7-8-18-40(36)33-41)39-30-28-37(29-31-39)48-34-49-44-22-10-12-24-46(44)55-54(53(49)45-23-11-9-21-43(45)48)47-25-13-14-26-52(47)59(55)42-19-5-2-6-20-42;1-3-16-37(17-4-1)53-56-54(58-55(57-53)40-32-27-35-15-7-8-18-39(35)33-40)38-30-28-36(29-31-38)47-34-48-43-22-10-12-24-45(43)52-51(50(48)44-23-11-9-21-42(44)47)46-25-13-14-26-49(46)59(52)41-19-5-2-6-20-41/h2*1-35H;1-34H
• InChIKey: GYDJDDHTFGKRNS-UHFFFAOYSA-N
• XLogP: 43.96
• TPSA: 105.02 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2250.74
LogP ≤ 5	43.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-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-naphthalen-2-yl-6-phenylpyrimidin-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-naphthalen-2-yl-6-phenyl-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-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-naphthalen-2-yl-6-phenylpyrimidin-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-naphthalen-2-yl-6-phenyl-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 158401390) is 19-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-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-naphthalen-2-yl-6-phenylpyrimidin-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-naphthalen-2-yl-6-phenyl-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-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-naphthalen-2-yl-6-phenylpyrimidin-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-naphthalen-2-yl-6-phenyl-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-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-naphthalen-2-yl-6-phenylpyrimidin-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-naphthalen-2-yl-6-phenyl-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(-c2cc(-c3ccc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.

What is the InChIKey of 19-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-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-naphthalen-2-yl-6-phenylpyrimidin-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-naphthalen-2-yl-6-phenyl-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 GYDJDDHTFGKRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H35N3.C55H34N4/c1-3-16-38(17-4-1)50-35-51(41-32-27-36-15-7-8-18-40(36)33-41)58-56(57-50)39-30-28-37(29-31-39)48-34-49-44-22-10-12-24-46(44)55-54(53(49)45-23-11-9-21-43(45)48)47-25-13-14-26-52(47)59(55)42-19-5-2-6-20-42;1-3-16-38(17-4-1)50-35-51(58-56(57-50)41-32-27-36-15-7-8-18-40(36)33-41)39-30-28-37(29-31-39)48-34-49-44-22-10-12-24-46(44)55-54(53(49)45-23-11-9-21-43(45)48)47-25-13-14-26-52(47)59(55)42-19-5-2-6-20-42;1-3-16-37(17-4-1)53-56-54(58-55(57-53)40-32-27-35-15-7-8-18-39(35)33-40)38-30-28-36(29-31-38)47-34-48-43-22-10-12-24-45(43)52-51(50(48)44-23-11-9-21-42(44)47)46-25-13-14-26-49(46)59(52)41-19-5-2-6-20-41/h2*1-35H;1-34H.

What are the key properties of 19-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-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-naphthalen-2-yl-6-phenylpyrimidin-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-naphthalen-2-yl-6-phenyl-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-(2-naphthalen-2-yl-6-phenylpyrimidin-4-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-naphthalen-2-yl-6-phenylpyrimidin-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-naphthalen-2-yl-6-phenyl-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 2250.74 g/mol, XLogP of 43.96, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 19-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-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-naphthalen-2-yl-6-phenylpyrimidin-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-naphthalen-2-yl-6-phenyl-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 158401390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).