14-[4-[4-(1,10-phenanthrolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[5-(1,10-phenanthrolin-4-yl)-2-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

C127H73N11O3 — CID 159446583

About 14-[4-[4-(1,10-phenanthrolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[5-(1,10-phenanthrolin-4-yl)-2-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

14-[4-[4-(1,10-phenanthrolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[5-(1,10-phenanthrolin-4-yl)-2-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (PubChem CID 159446583) has the molecular formula C127H73N11O3 and a molecular weight of 1801.05 g/mol. Its IUPAC name is 14-[4-[4-(1,10-phenanthrolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[5-(1,10-phenanthrolin-4-yl)-2-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-[4-[4-(1,10-phenanthrolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[5-(1,10-phenanthrolin-4-yl)-2-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
• PubChem CID: 159446583
• Molecular Formula: C127H73N11O3
• Molecular Weight: 1801.05 g/mol
• Exact Mass: 1799.59
• IUPAC Name: 14-[4-[4-(1,10-phenanthrolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[5-(1,10-phenanthrolin-4-yl)-2-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
• SMILES: c1cnc2c(c1)ccc1c(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)cc4)cc3)ccnc12.c1cnc2c(c1)ccc1c(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)cc4)cn3)ccnc12.c1cnc2c(c1)ccc1c(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)cc4)nc3)ccnc12
• InChI: InChI=1S/C43H25N3O.2C42H24N4O/c1-3-9-37-35(8-1)39-36(22-21-34-32-7-2-4-10-38(32)47-43(34)39)40(46-37)30-17-13-27(14-18-30)26-11-15-28(16-12-26)31-23-25-45-42-33(31)20-19-29-6-5-24-44-41(29)42;1-3-9-36-33(8-1)38-34(19-18-32-30-7-2-4-10-37(30)47-42(32)38)39(46-36)27-13-11-25(12-14-27)35-20-16-28(24-45-35)29-21-23-44-41-31(29)17-15-26-6-5-22-43-40(26)41;1-3-9-36-33(8-1)38-34(19-18-32-30-7-2-4-10-37(30)47-42(32)38)39(46-36)27-13-11-25(12-14-27)28-16-20-35(45-24-28)29-21-23-44-41-31(29)17-15-26-6-5-22-43-40(26)41/h1-25H;2*1-24H
• InChIKey: LSVIJVSAYJLBCE-UHFFFAOYSA-N
• XLogP: 32.94
• TPSA: 181.21 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1801.05
LogP ≤ 5	32.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-[4-[4-(1,10-phenanthrolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[5-(1,10-phenanthrolin-4-yl)-2-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The IUPAC name of 14-[4-[4-(1,10-phenanthrolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[5-(1,10-phenanthrolin-4-yl)-2-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (CID 159446583) is 14-[4-[4-(1,10-phenanthrolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[5-(1,10-phenanthrolin-4-yl)-2-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

What is the SMILES notation for 14-[4-[4-(1,10-phenanthrolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[5-(1,10-phenanthrolin-4-yl)-2-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The canonical SMILES for 14-[4-[4-(1,10-phenanthrolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[5-(1,10-phenanthrolin-4-yl)-2-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is c1cnc2c(c1)ccc1c(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)cc4)cc3)ccnc12.c1cnc2c(c1)ccc1c(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)cc4)cn3)ccnc12.c1cnc2c(c1)ccc1c(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)cc4)nc3)ccnc12.

What is the InChIKey of 14-[4-[4-(1,10-phenanthrolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[5-(1,10-phenanthrolin-4-yl)-2-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The InChIKey is LSVIJVSAYJLBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O.2C42H24N4O/c1-3-9-37-35(8-1)39-36(22-21-34-32-7-2-4-10-38(32)47-43(34)39)40(46-37)30-17-13-27(14-18-30)26-11-15-28(16-12-26)31-23-25-45-42-33(31)20-19-29-6-5-24-44-41(29)42;1-3-9-36-33(8-1)38-34(19-18-32-30-7-2-4-10-37(30)47-42(32)38)39(46-36)27-13-11-25(12-14-27)35-20-16-28(24-45-35)29-21-23-44-41-31(29)17-15-26-6-5-22-43-40(26)41;1-3-9-36-33(8-1)38-34(19-18-32-30-7-2-4-10-37(30)47-42(32)38)39(46-36)27-13-11-25(12-14-27)28-16-20-35(45-24-28)29-21-23-44-41-31(29)17-15-26-6-5-22-43-40(26)41/h1-25H;2*1-24H.

What are the key properties of 14-[4-[4-(1,10-phenanthrolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[5-(1,10-phenanthrolin-4-yl)-2-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

14-[4-[4-(1,10-phenanthrolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[5-(1,10-phenanthrolin-4-yl)-2-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene has a molecular weight of 1801.05 g/mol, XLogP of 32.94, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[4-[4-(1,10-phenanthrolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[5-(1,10-phenanthrolin-4-yl)-2-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is sourced from PubChem (CID 159446583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).