14-[3-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(3-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(4-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

C191H122N12 — CID 158527491

About 14-[3-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(3-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(4-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

14-[3-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(3-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(4-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (PubChem CID 158527491) has the molecular formula C191H122N12 and a molecular weight of 2585.16 g/mol. Its IUPAC name is 14-[3-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(3-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(4-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-[3-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(3-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(4-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
• PubChem CID: 158527491
• Molecular Formula: C191H122N12
• Molecular Weight: 2585.16 g/mol
• Exact Mass: 2582.99
• IUPAC Name: 14-[3-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(3-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(4-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)c3-c3cccc(-c4nc5ccccc5c5c4ccc4c5c5ccccc5n4-c4ccccc4)c3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)c3-c3cccc(-c4nc5ccccc5c5c4ccc4c5c5ccccc5n4-c4ccccc4)c3)c2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)c(-c3cccc(-c4nc5ccccc5c5c4ccc4c5c5ccccc5n4-c4ccccc4)c3)c(-c3cccc4ccccc34)n2)cc1
• InChI: InChI=1S/2C65H42N4.C61H38N4/c1-5-20-43(21-6-1)46-26-17-30-50(40-46)63-59(64(68-65(67-63)45-24-9-3-10-25-45)51-31-18-27-47(41-51)44-22-7-2-8-23-44)48-28-19-29-49(42-48)62-55-38-39-58-61(60(55)53-34-13-15-36-56(53)66-62)54-35-14-16-37-57(54)69(58)52-32-11-4-12-33-52;1-5-18-43(19-6-1)45-32-36-47(37-33-45)63-59(64(68-65(67-63)49-22-9-3-10-23-49)48-38-34-46(35-39-48)44-20-7-2-8-21-44)50-24-17-25-51(42-50)62-55-40-41-58-61(60(55)53-28-13-15-30-56(53)66-62)54-29-14-16-31-57(54)69(58)52-26-11-4-12-27-52;1-3-20-41(21-4-1)61-63-59(47-32-16-22-39-18-7-9-28-45(39)47)55(60(64-61)48-33-17-23-40-19-8-10-29-46(40)48)42-24-15-25-43(38-42)58-51-36-37-54-57(56(51)49-30-11-13-34-52(49)62-58)50-31-12-14-35-53(50)65(54)44-26-5-2-6-27-44/h2*1-42H;1-38H
• InChIKey: HMYPEKMHIDGCCF-UHFFFAOYSA-N
• XLogP: 49.80
• TPSA: 130.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2585.16
LogP ≤ 5	49.80
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 14-[3-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(3-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(4-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The IUPAC name of 14-[3-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(3-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(4-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (CID 158527491) is 14-[3-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(3-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(4-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

What is the SMILES notation for 14-[3-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(3-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(4-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The canonical SMILES for 14-[3-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(3-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(4-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)c3-c3cccc(-c4nc5ccccc5c5c4ccc4c5c5ccccc5n4-c4ccccc4)c3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)c3-c3cccc(-c4nc5ccccc5c5c4ccc4c5c5ccccc5n4-c4ccccc4)c3)c2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)c(-c3cccc(-c4nc5ccccc5c5c4ccc4c5c5ccccc5n4-c4ccccc4)c3)c(-c3cccc4ccccc34)n2)cc1.

What is the InChIKey of 14-[3-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(3-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(4-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The InChIKey is HMYPEKMHIDGCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C65H42N4.C61H38N4/c1-5-20-43(21-6-1)46-26-17-30-50(40-46)63-59(64(68-65(67-63)45-24-9-3-10-25-45)51-31-18-27-47(41-51)44-22-7-2-8-23-44)48-28-19-29-49(42-48)62-55-38-39-58-61(60(55)53-34-13-15-36-56(53)66-62)54-35-14-16-37-57(54)69(58)52-32-11-4-12-33-52;1-5-18-43(19-6-1)45-32-36-47(37-33-45)63-59(64(68-65(67-63)49-22-9-3-10-23-49)48-38-34-46(35-39-48)44-20-7-2-8-21-44)50-24-17-25-51(42-50)62-55-40-41-58-61(60(55)53-28-13-15-30-56(53)66-62)54-29-14-16-31-57(54)69(58)52-26-11-4-12-27-52;1-3-20-41(21-4-1)61-63-59(47-32-16-22-39-18-7-9-28-45(39)47)55(60(64-61)48-33-17-23-40-19-8-10-29-46(40)48)42-24-15-25-43(38-42)58-51-36-37-54-57(56(51)49-30-11-13-34-52(49)62-58)50-31-12-14-35-53(50)65(54)44-26-5-2-6-27-44/h2*1-42H;1-38H.

What are the key properties of 14-[3-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(3-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(4-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

14-[3-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(3-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(4-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene has a molecular weight of 2585.16 g/mol, XLogP of 49.80, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(3-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[2-phenyl-4,6-bis(4-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is sourced from PubChem (CID 158527491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).