11-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(4-diphenylphosphorylphenyl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-[4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene

C188H113N10O5PS — CID 163728693

About 11-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(4-diphenylphosphorylphenyl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-[4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene

11-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(4-diphenylphosphorylphenyl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-[4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene (PubChem CID 163728693) has the molecular formula C188H113N10O5PS and a molecular weight of 2655.08 g/mol. Its IUPAC name is 11-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(4-diphenylphosphorylphenyl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-[4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene.

Molecular Properties

• Compound Name: 11-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(4-diphenylphosphorylphenyl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-[4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene
• PubChem CID: 163728693
• Molecular Formula: C188H113N10O5PS
• Molecular Weight: 2655.08 g/mol
• Exact Mass: 2652.84
• IUPAC Name: 11-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(4-diphenylphosphorylphenyl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-[4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc4cc5ccccc5cc4c4oc5ccccc5c34)cc2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6nc7cc8ccccc8cc7c7oc8ccccc8c67)cc5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6cc7ccccc7cc6c6oc7ccccc7c56)cc4)cc3)c3sc4ccccc4c3n2)cc1.c1ccc2cc3c(cc2c1)nc(-c1ccc(-c2cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c2)cc1)c1c2ccccc2oc31
• InChI: InChI=1S/C55H33N3O.C47H27N3OS.C43H25N3O.C43H28NO2P/c1-2-14-37-32-47-46(31-36(37)13-1)55-53(45-19-7-12-24-52(45)59-55)54(56-47)35-27-25-34(26-28-35)38-29-39(57-48-20-8-3-15-41(48)42-16-4-9-21-49(42)57)33-40(30-38)58-50-22-10-5-17-43(50)44-18-6-11-23-51(44)58;1-2-10-32(11-3-1)47-49-43(46-44(50-47)36-15-7-9-17-40(36)52-46)31-24-20-29(21-25-31)28-18-22-30(23-19-28)42-41-35-14-6-8-16-39(35)51-45(41)37-26-33-12-4-5-13-34(33)27-38(37)48-42;1-2-8-26(9-3-1)35-22-20-29-18-19-30-21-23-36(45-42(30)41(29)44-35)27-14-16-28(17-15-27)40-39-33-12-6-7-13-38(33)47-43(39)34-24-31-10-4-5-11-32(31)25-37(34)46-40;45-47(34-13-3-1-4-14-34,35-15-5-2-6-16-35)36-25-23-30(24-26-36)29-19-21-31(22-20-29)42-41-37-17-9-10-18-40(37)46-43(41)38-27-32-11-7-8-12-33(32)28-39(38)44-42/h1-33H;1-27H;1-25H;1-28H
• InChIKey: KXTHLMLNFYACMY-UHFFFAOYSA-N
• XLogP: 49.57
• TPSA: 182.61 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2655.08
LogP ≤ 5	49.57
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_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(4-diphenylphosphorylphenyl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-[4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene?

The IUPAC name of 11-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(4-diphenylphosphorylphenyl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-[4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene (CID 163728693) is 11-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(4-diphenylphosphorylphenyl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-[4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene.

What is the SMILES notation for 11-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(4-diphenylphosphorylphenyl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-[4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene?

The canonical SMILES for 11-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(4-diphenylphosphorylphenyl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-[4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc4cc5ccccc5cc4c4oc5ccccc5c34)cc2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6nc7cc8ccccc8cc7c7oc8ccccc8c67)cc5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6cc7ccccc7cc6c6oc7ccccc7c56)cc4)cc3)c3sc4ccccc4c3n2)cc1.c1ccc2cc3c(cc2c1)nc(-c1ccc(-c2cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c2)cc1)c1c2ccccc2oc31.

What is the InChIKey of 11-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(4-diphenylphosphorylphenyl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-[4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene?

The InChIKey is KXTHLMLNFYACMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O.C47H27N3OS.C43H25N3O.C43H28NO2P/c1-2-14-37-32-47-46(31-36(37)13-1)55-53(45-19-7-12-24-52(45)59-55)54(56-47)35-27-25-34(26-28-35)38-29-39(57-48-20-8-3-15-41(48)42-16-4-9-21-49(42)57)33-40(30-38)58-50-22-10-5-17-43(50)44-18-6-11-23-51(44)58;1-2-10-32(11-3-1)47-49-43(46-44(50-47)36-15-7-9-17-40(36)52-46)31-24-20-29(21-25-31)28-18-22-30(23-19-28)42-41-35-14-6-8-16-39(35)51-45(41)37-26-33-12-4-5-13-34(33)27-38(37)48-42;1-2-8-26(9-3-1)35-22-20-29-18-19-30-21-23-36(45-42(30)41(29)44-35)27-14-16-28(17-15-27)40-39-33-12-6-7-13-38(33)47-43(39)34-24-31-10-4-5-11-32(31)25-37(34)46-40;45-47(34-13-3-1-4-14-34,35-15-5-2-6-16-35)36-25-23-30(24-26-36)29-19-21-31(22-20-29)42-41-37-17-9-10-18-40(37)46-43(41)38-27-32-11-7-8-12-33(32)28-39(38)44-42/h1-33H;1-27H;1-25H;1-28H.

What are the key properties of 11-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(4-diphenylphosphorylphenyl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-[4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene?

11-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(4-diphenylphosphorylphenyl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-[4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene has a molecular weight of 2655.08 g/mol, XLogP of 49.57, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(4-diphenylphosphorylphenyl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-[4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene;11-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene is sourced from PubChem (CID 163728693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).