10,21-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[7-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C219H140N15OP — CID 164962474

About 10,21-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[7-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

10,21-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[7-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 164962474) has the molecular formula C219H140N15OP and a molecular weight of 3028.61 g/mol. Its IUPAC name is 10,21-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[7-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 10,21-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[7-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• PubChem CID: 164962474
• Molecular Formula: C219H140N15OP
• Molecular Weight: 3028.61 g/mol
• Exact Mass: 3026.11
• IUPAC Name: 10,21-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[7-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3cccc4c3c3cc5c(-c6ccccc6)nc6ccccc6c5cc3n4-c3ccccc3)c2)cc1.c1ccc(-c2cc(-c3ccc4ccc(-c5cccc6c5c5cc7c(-c8ccccc8)nc8ccccc8c7cc5n6-c5ccccc5)cc4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7c6c6cc8c(-c9ccccc9)nc9ccccc9c8cc6n7-c6ccccc6)cc5)nc4c3n2)cc1.c1ccc(-c2nc3ccccc3c3cc4c(cc23)c2c(-c3ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc3)cccc2n4-c2ccccc2)cc1
• InChI: InChI=1S/C57H36N4.C55H34N4.C55H37N2OP.C52H33N5/c1-5-16-38(17-6-1)51-36-52(60-57(59-51)40-20-9-3-10-21-40)42-31-29-37-28-30-41(32-43(37)33-42)45-25-15-27-53-55(45)49-34-48-47(35-54(49)61(53)44-22-11-4-12-23-44)46-24-13-14-26-50(46)58-56(48)39-18-7-2-8-19-39;1-4-13-36(14-5-1)47-31-29-39-27-28-40-30-32-48(57-55(40)54(39)56-47)37-25-23-35(24-26-37)42-20-12-22-50-52(42)46-33-45-44(34-51(46)59(50)41-17-8-3-9-18-41)43-19-10-11-21-49(43)58-53(45)38-15-6-2-7-16-38;58-59(43-23-9-3-10-24-43,44-25-11-4-12-26-44)45-33-31-38(32-34-45)40-19-15-20-41(35-40)46-28-16-30-52-54(46)50-36-49-48(37-53(50)57(52)42-21-7-2-8-22-42)47-27-13-14-29-51(47)56-55(49)39-17-5-1-6-18-39;1-3-14-36(15-4-1)52-42-32-43-50(33-41(42)40-18-7-8-20-44(40)56-52)57(38-16-5-2-6-17-38)49-23-13-19-39(51(43)49)35-26-24-34(25-27-35)37-30-47(45-21-9-11-28-53-45)55-48(31-37)46-22-10-12-29-54-46/h1-36H;1-34H;1-37H;1-33H
• InChIKey: CAKQMBQMEJETRJ-UHFFFAOYSA-N
• XLogP: 55.14
• TPSA: 178.58 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3028.61
LogP ≤ 5	55.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,21-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[7-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The IUPAC name of 10,21-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[7-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 164962474) is 10,21-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[7-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

What is the SMILES notation for 10,21-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[7-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The canonical SMILES for 10,21-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[7-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3cccc4c3c3cc5c(-c6ccccc6)nc6ccccc6c5cc3n4-c3ccccc3)c2)cc1.c1ccc(-c2cc(-c3ccc4ccc(-c5cccc6c5c5cc7c(-c8ccccc8)nc8ccccc8c7cc5n6-c5ccccc5)cc4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7c6c6cc8c(-c9ccccc9)nc9ccccc9c8cc6n7-c6ccccc6)cc5)nc4c3n2)cc1.c1ccc(-c2nc3ccccc3c3cc4c(cc23)c2c(-c3ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc3)cccc2n4-c2ccccc2)cc1.

What is the InChIKey of 10,21-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[7-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The InChIKey is CAKQMBQMEJETRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4.C55H34N4.C55H37N2OP.C52H33N5/c1-5-16-38(17-6-1)51-36-52(60-57(59-51)40-20-9-3-10-21-40)42-31-29-37-28-30-41(32-43(37)33-42)45-25-15-27-53-55(45)49-34-48-47(35-54(49)61(53)44-22-11-4-12-23-44)46-24-13-14-26-50(46)58-56(48)39-18-7-2-8-19-39;1-4-13-36(14-5-1)47-31-29-39-27-28-40-30-32-48(57-55(40)54(39)56-47)37-25-23-35(24-26-37)42-20-12-22-50-52(42)46-33-45-44(34-51(46)59(50)41-17-8-3-9-18-41)43-19-10-11-21-49(43)58-53(45)38-15-6-2-7-16-38;58-59(43-23-9-3-10-24-43,44-25-11-4-12-26-44)45-33-31-38(32-34-45)40-19-15-20-41(35-40)46-28-16-30-52-54(46)50-36-49-48(37-53(50)57(52)42-21-7-2-8-22-42)47-27-13-14-29-51(47)56-55(49)39-17-5-1-6-18-39;1-3-14-36(15-4-1)52-42-32-43-50(33-41(42)40-18-7-8-20-44(40)56-52)57(38-16-5-2-6-17-38)49-23-13-19-39(51(43)49)35-26-24-34(25-27-35)37-30-47(45-21-9-11-28-53-45)55-48(31-37)46-22-10-12-29-54-46/h1-36H;1-34H;1-37H;1-33H.

What are the key properties of 10,21-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[7-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

10,21-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[7-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 3028.61 g/mol, XLogP of 55.14, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 10,21-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[7-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 164962474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).