11-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(4-diphenylphosphorylphenyl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

C186H113N10O5P — CID 163794468

About 11-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(4-diphenylphosphorylphenyl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

11-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(4-diphenylphosphorylphenyl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (PubChem CID 163794468) has the molecular formula C186H113N10O5P and a molecular weight of 2598.99 g/mol. Its IUPAC name is 11-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(4-diphenylphosphorylphenyl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 11-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(4-diphenylphosphorylphenyl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
• PubChem CID: 163794468
• Molecular Formula: C186H113N10O5P
• Molecular Weight: 2598.99 g/mol
• Exact Mass: 2596.86
• IUPAC Name: 11-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(4-diphenylphosphorylphenyl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3nc4ccc5ccccc5c4c4c3oc3ccccc34)c2)cc1.c1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc3ccc4ccccc4c3c3c2oc2ccccc23)c1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6nc7ccc8ccccc8c7c7c6oc6ccccc67)c5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc6ccc7ccccc7c6c6c5oc5ccccc56)c4)cc3)c3ccccc3n2)cc1
• InChI: InChI=1S/C55H33N3O.C45H27N3O.C43H25N3O.C43H28NO2P/c1-2-17-40-34(14-1)28-29-46-52(40)53-45-22-7-12-27-51(45)59-55(53)54(56-46)36-16-13-15-35(30-36)37-31-38(57-47-23-8-3-18-41(47)42-19-4-9-24-48(42)57)33-39(32-37)58-49-25-10-5-20-43(49)44-21-6-11-26-50(44)58;1-2-12-31(13-3-1)45-47-37-19-8-6-17-35(37)42(48-45)30-23-21-28(22-24-30)32-14-10-15-33(27-32)43-44-41(36-18-7-9-20-39(36)49-44)40-34-16-5-4-11-29(34)25-26-38(40)46-43;1-2-10-27(11-3-1)34-22-20-28-17-18-29-21-23-35(45-41(29)40(28)44-34)30-12-8-13-31(25-30)42-43-39(33-15-6-7-16-37(33)47-43)38-32-14-5-4-9-26(32)19-24-36(38)46-42;45-47(33-15-3-1-4-16-33,34-17-5-2-6-18-34)35-25-22-29(23-26-35)31-13-11-14-32(28-31)42-43-41(37-20-9-10-21-39(37)46-43)40-36-19-8-7-12-30(36)24-27-38(40)44-42/h1-33H;1-27H;1-25H;1-28H
• InChIKey: MZOZUJCBUABWHA-UHFFFAOYSA-N
• XLogP: 48.36
• TPSA: 182.61 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2598.99
LogP ≤ 5	48.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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 11-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(4-diphenylphosphorylphenyl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The IUPAC name of 11-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(4-diphenylphosphorylphenyl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (CID 163794468) is 11-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(4-diphenylphosphorylphenyl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

What is the SMILES notation for 11-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(4-diphenylphosphorylphenyl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The canonical SMILES for 11-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(4-diphenylphosphorylphenyl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3nc4ccc5ccccc5c4c4c3oc3ccccc34)c2)cc1.c1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc3ccc4ccccc4c3c3c2oc2ccccc23)c1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6nc7ccc8ccccc8c7c7c6oc6ccccc67)c5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc6ccc7ccccc7c6c6c5oc5ccccc56)c4)cc3)c3ccccc3n2)cc1.

What is the InChIKey of 11-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(4-diphenylphosphorylphenyl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The InChIKey is MZOZUJCBUABWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O.C45H27N3O.C43H25N3O.C43H28NO2P/c1-2-17-40-34(14-1)28-29-46-52(40)53-45-22-7-12-27-51(45)59-55(53)54(56-46)36-16-13-15-35(30-36)37-31-38(57-47-23-8-3-18-41(47)42-19-4-9-24-48(42)57)33-39(32-37)58-49-25-10-5-20-43(49)44-21-6-11-26-50(44)58;1-2-12-31(13-3-1)45-47-37-19-8-6-17-35(37)42(48-45)30-23-21-28(22-24-30)32-14-10-15-33(27-32)43-44-41(36-18-7-9-20-39(36)49-44)40-34-16-5-4-11-29(34)25-26-38(40)46-43;1-2-10-27(11-3-1)34-22-20-28-17-18-29-21-23-35(45-41(29)40(28)44-34)30-12-8-13-31(25-30)42-43-39(33-15-6-7-16-37(33)47-43)38-32-14-5-4-9-26(32)19-24-36(38)46-42;45-47(33-15-3-1-4-16-33,34-17-5-2-6-18-34)35-25-22-29(23-26-35)31-13-11-14-32(28-31)42-43-41(37-20-9-10-21-39(37)46-43)40-36-19-8-7-12-30(36)24-27-38(40)44-42/h1-33H;1-27H;1-25H;1-28H.

What are the key properties of 11-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(4-diphenylphosphorylphenyl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

11-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(4-diphenylphosphorylphenyl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene has a molecular weight of 2598.99 g/mol, XLogP of 48.36, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(4-diphenylphosphorylphenyl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;11-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is sourced from PubChem (CID 163794468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).