3-[4-(1,10-phenanthrolin-2-yl)phenyl]-20-phenyl-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-(4-triphenylen-2-ylphenyl)-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene

C135H80N10O3 — CID 165109466

About 3-[4-(1,10-phenanthrolin-2-yl)phenyl]-20-phenyl-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-(4-triphenylen-2-ylphenyl)-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene

3-[4-(1,10-phenanthrolin-2-yl)phenyl]-20-phenyl-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-(4-triphenylen-2-ylphenyl)-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene (PubChem CID 165109466) has the molecular formula C135H80N10O3 and a molecular weight of 1890.19 g/mol. Its IUPAC name is 3-[4-(1,10-phenanthrolin-2-yl)phenyl]-20-phenyl-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-(4-triphenylen-2-ylphenyl)-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene.

Molecular Properties

• Compound Name: 3-[4-(1,10-phenanthrolin-2-yl)phenyl]-20-phenyl-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-(4-triphenylen-2-ylphenyl)-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
• PubChem CID: 165109466
• Molecular Formula: C135H80N10O3
• Molecular Weight: 1890.19 g/mol
• Exact Mass: 1888.64
• IUPAC Name: 3-[4-(1,10-phenanthrolin-2-yl)phenyl]-20-phenyl-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-(4-triphenylen-2-ylphenyl)-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
• SMILES: c1ccc(-c2ccc3ccc4ccc(-c5cccc(-n6c7ccccc7c7oc8c9ccccc9nc(-c9ccccc9)c8c76)c5)nc4c3n2)cc1.c1ccc(-c2nc3ccccc3c3oc4c5ccccc5n(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)c4c23)cc1.c1ccc(-c2nc3ccccc3c3oc4c5ccccc5n(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)c4c23)cc1
• InChI: InChI=1S/C47H28N4O.C47H28N2O.C41H24N4O/c1-3-12-29(13-4-1)37-26-24-31-22-23-32-25-27-38(49-44(32)43(31)48-37)33-16-11-17-34(28-33)51-40-21-10-8-19-36(40)47-45(51)41-42(30-14-5-2-6-15-30)50-39-20-9-7-18-35(39)46(41)52-47;1-2-12-30(13-3-1)44-43-45-47(50-46(43)38-18-8-10-20-41(38)48-44)39-19-9-11-21-42(39)49(45)32-25-22-29(23-26-32)31-24-27-37-35-16-5-4-14-33(35)34-15-6-7-17-36(34)40(37)28-31;1-2-9-26(10-3-1)36-35-39-41(46-40(35)30-12-4-6-14-33(30)44-36)31-13-5-7-15-34(31)45(39)29-21-18-25(19-22-29)32-23-20-28-17-16-27-11-8-24-42-37(27)38(28)43-32/h1-28H;1-28H;1-24H
• InChIKey: ZRWXBWIMDXIYFQ-UHFFFAOYSA-N
• XLogP: 35.56
• TPSA: 144.44 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1890.19
LogP ≤ 5	35.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,10-phenanthrolin-2-yl)phenyl]-20-phenyl-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-(4-triphenylen-2-ylphenyl)-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene?

The IUPAC name of 3-[4-(1,10-phenanthrolin-2-yl)phenyl]-20-phenyl-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-(4-triphenylen-2-ylphenyl)-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene (CID 165109466) is 3-[4-(1,10-phenanthrolin-2-yl)phenyl]-20-phenyl-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-(4-triphenylen-2-ylphenyl)-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene.

What is the SMILES notation for 3-[4-(1,10-phenanthrolin-2-yl)phenyl]-20-phenyl-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-(4-triphenylen-2-ylphenyl)-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene?

The canonical SMILES for 3-[4-(1,10-phenanthrolin-2-yl)phenyl]-20-phenyl-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-(4-triphenylen-2-ylphenyl)-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene is c1ccc(-c2ccc3ccc4ccc(-c5cccc(-n6c7ccccc7c7oc8c9ccccc9nc(-c9ccccc9)c8c76)c5)nc4c3n2)cc1.c1ccc(-c2nc3ccccc3c3oc4c5ccccc5n(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)c4c23)cc1.c1ccc(-c2nc3ccccc3c3oc4c5ccccc5n(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)c4c23)cc1.

What is the InChIKey of 3-[4-(1,10-phenanthrolin-2-yl)phenyl]-20-phenyl-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-(4-triphenylen-2-ylphenyl)-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene?

The InChIKey is ZRWXBWIMDXIYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O.C47H28N2O.C41H24N4O/c1-3-12-29(13-4-1)37-26-24-31-22-23-32-25-27-38(49-44(32)43(31)48-37)33-16-11-17-34(28-33)51-40-21-10-8-19-36(40)47-45(51)41-42(30-14-5-2-6-15-30)50-39-20-9-7-18-35(39)46(41)52-47;1-2-12-30(13-3-1)44-43-45-47(50-46(43)38-18-8-10-20-41(38)48-44)39-19-9-11-21-42(39)49(45)32-25-22-29(23-26-32)31-24-27-37-35-16-5-4-14-33(35)34-15-6-7-17-36(34)40(37)28-31;1-2-9-26(10-3-1)36-35-39-41(46-40(35)30-12-4-6-14-33(30)44-36)31-13-5-7-15-34(31)45(39)29-21-18-25(19-22-29)32-23-20-28-17-16-27-11-8-24-42-37(27)38(28)43-32/h1-28H;1-28H;1-24H.

What are the key properties of 3-[4-(1,10-phenanthrolin-2-yl)phenyl]-20-phenyl-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-(4-triphenylen-2-ylphenyl)-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene?

3-[4-(1,10-phenanthrolin-2-yl)phenyl]-20-phenyl-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-(4-triphenylen-2-ylphenyl)-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene has a molecular weight of 1890.19 g/mol, XLogP of 35.56, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(1,10-phenanthrolin-2-yl)phenyl]-20-phenyl-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-(4-triphenylen-2-ylphenyl)-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene is sourced from PubChem (CID 165109466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).