12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;18-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-21-oxa-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

C192H122N8O4 — CID 162242682

About 12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;18-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-21-oxa-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;18-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-21-oxa-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene (PubChem CID 162242682) has the molecular formula C192H122N8O4 and a molecular weight of 2605.14 g/mol. Its IUPAC name is 12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;18-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-21-oxa-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.

Molecular Properties

• Compound Name: 12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;18-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-21-oxa-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
• PubChem CID: 162242682
• Molecular Formula: C192H122N8O4
• Molecular Weight: 2605.14 g/mol
• Exact Mass: 2602.96
• IUPAC Name: 12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;18-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-21-oxa-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6oc7cc8ccccc8cc7c56)c4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6oc7ccc8ccccc8c7c56)c4)c3)c2)cc1.c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6oc7c8ccccc8c8ccccc8c7c56)c4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6oc7c8ccccc8ccc7c56)c4)c3)cc2)cc1
• InChI: InChI=1S/2C50H32N2O.C48H30N2O.C44H28N2O/c1-4-14-33(15-5-1)41-30-42(34-16-6-2-7-17-34)32-43(31-41)39-23-12-21-37(28-39)38-22-13-24-40(29-38)48-47-46-44-25-11-10-18-35(44)26-27-45(46)53-50(47)52-49(51-48)36-19-8-3-9-20-36;1-4-14-33(15-5-1)42-28-43(34-16-6-2-7-17-34)30-44(29-42)38-24-12-22-36(26-38)37-23-13-25-41(27-37)48-47-45-31-39-20-10-11-21-40(39)32-46(45)53-50(47)52-49(51-48)35-18-8-3-9-19-35;1-3-13-31(14-4-1)32-25-27-33(28-26-32)35-17-11-18-36(29-35)37-19-12-20-38(30-37)45-44-43-41-23-9-7-21-39(41)40-22-8-10-24-42(40)46(43)51-48(44)50-47(49-45)34-15-5-2-6-16-34;1-3-11-29(12-4-1)30-21-23-31(24-22-30)34-16-9-17-35(27-34)36-18-10-19-37(28-36)41-40-39-26-25-32-13-7-8-20-38(32)42(39)47-44(40)46-43(45-41)33-14-5-2-6-15-33/h2*1-32H;1-30H;1-28H
• InChIKey: ZWXIUPCCICNCAC-UHFFFAOYSA-N
• XLogP: 51.94
• TPSA: 155.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2605.14
LogP ≤ 5	51.94
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 12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;18-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-21-oxa-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?

The IUPAC name of 12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;18-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-21-oxa-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene (CID 162242682) is 12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;18-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-21-oxa-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.

What is the SMILES notation for 12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;18-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-21-oxa-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?

The canonical SMILES for 12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;18-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-21-oxa-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6oc7cc8ccccc8cc7c56)c4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6oc7ccc8ccccc8c7c56)c4)c3)c2)cc1.c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6oc7c8ccccc8c8ccccc8c7c56)c4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6oc7c8ccccc8ccc7c56)c4)c3)cc2)cc1.

What is the InChIKey of 12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;18-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-21-oxa-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?

The InChIKey is ZWXIUPCCICNCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H32N2O.C48H30N2O.C44H28N2O/c1-4-14-33(15-5-1)41-30-42(34-16-6-2-7-17-34)32-43(31-41)39-23-12-21-37(28-39)38-22-13-24-40(29-38)48-47-46-44-25-11-10-18-35(44)26-27-45(46)53-50(47)52-49(51-48)36-19-8-3-9-20-36;1-4-14-33(15-5-1)42-28-43(34-16-6-2-7-17-34)30-44(29-42)38-24-12-22-36(26-38)37-23-13-25-41(27-37)48-47-45-31-39-20-10-11-21-40(39)32-46(45)53-50(47)52-49(51-48)35-18-8-3-9-19-35;1-3-13-31(14-4-1)32-25-27-33(28-26-32)35-17-11-18-36(29-35)37-19-12-20-38(30-37)45-44-43-41-23-9-7-21-39(41)40-22-8-10-24-42(40)46(43)51-48(44)50-47(49-45)34-15-5-2-6-16-34;1-3-11-29(12-4-1)30-21-23-31(24-22-30)34-16-9-17-35(27-34)36-18-10-19-37(28-36)41-40-39-26-25-32-13-7-8-20-38(32)42(39)47-44(40)46-43(45-41)33-14-5-2-6-15-33/h2*1-32H;1-30H;1-28H.

What are the key properties of 12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;18-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-21-oxa-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?

12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;18-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-21-oxa-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene has a molecular weight of 2605.14 g/mol, XLogP of 51.94, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;18-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-21-oxa-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is sourced from PubChem (CID 162242682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).