10,14-diphenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,14-diphenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C223H143N17 — CID 164964426

About 10,14-diphenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,14-diphenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

10,14-diphenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,14-diphenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 164964426) has the molecular formula C223H143N17 and a molecular weight of 3060.72 g/mol. Its IUPAC name is 10,14-diphenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,14-diphenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 10,14-diphenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,14-diphenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• PubChem CID: 164964426
• Molecular Formula: C223H143N17
• Molecular Weight: 3060.72 g/mol
• Exact Mass: 3058.17
• IUPAC Name: 10,14-diphenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,14-diphenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• SMILES: c1ccc(-c2cc(-c3cccc(-c4cccc5c4c4cc6c(cc4n5-c4ccccc4)c(-c4ccccc4)nc4ccccc46)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4c4cc6c(cc4n5-c4ccccc4)c(-c4ccccc4)nc4ccccc46)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc6c5c5cc7c(cc5n6-c5ccccc5)c(-c5ccccc5)nc5ccccc57)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5c5cc7c(cc5n6-c5ccccc5)c(-c5ccccc5)nc5ccccc57)c4)n3)c2)cc1
• InChI: InChI=1S/C59H38N4.C58H37N5.2C53H34N4/c1-5-16-39(17-6-1)40-28-32-42(33-29-40)53-38-54(62-59(61-53)45-20-9-3-10-21-45)43-34-30-41(31-35-43)47-25-15-27-55-57(47)51-36-49-48-24-13-14-26-52(48)60-58(44-18-7-2-8-19-44)50(49)37-56(51)63(55)46-22-11-4-12-23-46;1-5-18-38(19-6-1)41-24-15-26-43(34-41)57-60-56(40-22-9-3-10-23-40)61-58(62-57)44-27-16-25-42(35-44)46-31-17-33-52-54(46)50-36-48-47-30-13-14-32-51(47)59-55(39-20-7-2-8-21-39)49(48)37-53(50)63(52)45-28-11-4-12-29-45;1-5-17-35(18-6-1)47-34-48(56-53(55-47)37-21-9-3-10-22-37)39-24-15-23-38(31-39)41-28-16-30-49-51(41)45-32-43-42-27-13-14-29-46(42)54-52(36-19-7-2-8-20-36)44(43)33-50(45)57(49)40-25-11-4-12-26-40;1-5-16-36(17-6-1)47-34-48(37-18-7-2-8-19-37)56-53(55-47)39-30-28-35(29-31-39)41-25-15-27-49-51(41)45-32-43-42-24-13-14-26-46(42)54-52(38-20-9-3-10-21-38)44(43)33-50(45)57(49)40-22-11-4-12-23-40/h1-38H;1-37H;2*1-34H
• InChIKey: CGYSBWFKUOARDG-UHFFFAOYSA-N
• XLogP: 57.17
• TPSA: 187.29 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 26
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3060.72
LogP ≤ 5	57.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,14-diphenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,14-diphenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The IUPAC name of 10,14-diphenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,14-diphenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 164964426) is 10,14-diphenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,14-diphenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

What is the SMILES notation for 10,14-diphenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,14-diphenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The canonical SMILES for 10,14-diphenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,14-diphenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is c1ccc(-c2cc(-c3cccc(-c4cccc5c4c4cc6c(cc4n5-c4ccccc4)c(-c4ccccc4)nc4ccccc46)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4c4cc6c(cc4n5-c4ccccc4)c(-c4ccccc4)nc4ccccc46)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc6c5c5cc7c(cc5n6-c5ccccc5)c(-c5ccccc5)nc5ccccc57)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5c5cc7c(cc5n6-c5ccccc5)c(-c5ccccc5)nc5ccccc57)c4)n3)c2)cc1.

What is the InChIKey of 10,14-diphenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,14-diphenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The InChIKey is CGYSBWFKUOARDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4.C58H37N5.2C53H34N4/c1-5-16-39(17-6-1)40-28-32-42(33-29-40)53-38-54(62-59(61-53)45-20-9-3-10-21-45)43-34-30-41(31-35-43)47-25-15-27-55-57(47)51-36-49-48-24-13-14-26-52(48)60-58(44-18-7-2-8-19-44)50(49)37-56(51)63(55)46-22-11-4-12-23-46;1-5-18-38(19-6-1)41-24-15-26-43(34-41)57-60-56(40-22-9-3-10-23-40)61-58(62-57)44-27-16-25-42(35-44)46-31-17-33-52-54(46)50-36-48-47-30-13-14-32-51(47)59-55(39-20-7-2-8-21-39)49(48)37-53(50)63(52)45-28-11-4-12-29-45;1-5-17-35(18-6-1)47-34-48(56-53(55-47)37-21-9-3-10-22-37)39-24-15-23-38(31-39)41-28-16-30-49-51(41)45-32-43-42-27-13-14-29-46(42)54-52(36-19-7-2-8-20-36)44(43)33-50(45)57(49)40-25-11-4-12-26-40;1-5-16-36(17-6-1)47-34-48(37-18-7-2-8-19-37)56-53(55-47)39-30-28-35(29-31-39)41-25-15-27-49-51(41)45-32-43-42-24-13-14-26-46(42)54-52(38-20-9-3-10-21-38)44(43)33-50(45)57(49)40-22-11-4-12-23-40/h1-38H;1-37H;2*1-34H.

What are the key properties of 10,14-diphenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,14-diphenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

10,14-diphenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,14-diphenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 3060.72 g/mol, XLogP of 57.17, 26 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 10,14-diphenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,14-diphenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 164964426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).