14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;14-(3-phenanthren-9-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C188H115N7O4 — CID 161448394

About 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;14-(3-phenanthren-9-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;14-(3-phenanthren-9-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 161448394) has the molecular formula C188H115N7O4 and a molecular weight of 2536.03 g/mol. Its IUPAC name is 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;14-(3-phenanthren-9-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;14-(3-phenanthren-9-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• PubChem CID: 161448394
• Molecular Formula: C188H115N7O4
• Molecular Weight: 2536.03 g/mol
• Exact Mass: 2533.90
• IUPAC Name: 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;14-(3-phenanthren-9-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• SMILES: c1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc3ccccc3c3cc4c(cc23)oc2ccccc24)c1.c1cc(-c2cc3ccccc3c3ccccc23)cc(-c2nc3ccccc3c3cc4c(cc23)oc2ccccc24)c1.c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2nc3ccccc3c3cc4c(cc23)oc2ccccc24)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4nc5ccccc5c5cc6c(cc45)oc4ccccc46)c3)cc2)cc1
• InChI: InChI=1S/C55H33N3O.C49H32N2O.C45H27NO.C39H23NO/c1-7-22-48-39(16-1)45-32-46-44-21-6-12-27-53(44)59-54(46)33-47(45)55(56-48)35-15-13-14-34(28-35)36-29-37(57-49-23-8-2-17-40(49)41-18-3-9-24-50(41)57)31-38(30-36)58-51-25-10-4-19-42(51)43-20-5-11-26-52(43)58;1-3-12-33(13-4-1)35-22-26-38(27-23-35)51(39-28-24-36(25-29-39)34-14-5-2-6-15-34)40-17-11-16-37(30-40)49-45-32-48-44(42-19-8-10-21-47(42)52-48)31-43(45)41-18-7-9-20-46(41)50-49;1-2-9-29-22-32(17-16-28(29)8-1)34-21-20-33-23-31(18-19-35(33)24-34)30-10-7-11-36(25-30)45-41-27-44-40(38-13-4-6-15-43(38)47-44)26-39(41)37-12-3-5-14-42(37)46-45;1-2-13-27-25(10-1)21-32(29-15-4-3-14-28(27)29)24-11-9-12-26(20-24)39-35-23-38-34(31-17-6-8-19-37(31)41-38)22-33(35)30-16-5-7-18-36(30)40-39/h1-33H;1-32H;1-27H;1-23H
• InChIKey: WAEWEPBNBMEURI-UHFFFAOYSA-N
• XLogP: 52.10
• TPSA: 117.22 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2536.03
LogP ≤ 5	52.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;14-(3-phenanthren-9-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The IUPAC name of 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;14-(3-phenanthren-9-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 161448394) is 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;14-(3-phenanthren-9-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

What is the SMILES notation for 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;14-(3-phenanthren-9-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The canonical SMILES for 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;14-(3-phenanthren-9-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is c1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc3ccccc3c3cc4c(cc23)oc2ccccc24)c1.c1cc(-c2cc3ccccc3c3ccccc23)cc(-c2nc3ccccc3c3cc4c(cc23)oc2ccccc24)c1.c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2nc3ccccc3c3cc4c(cc23)oc2ccccc24)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4nc5ccccc5c5cc6c(cc45)oc4ccccc46)c3)cc2)cc1.

What is the InChIKey of 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;14-(3-phenanthren-9-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The InChIKey is WAEWEPBNBMEURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O.C49H32N2O.C45H27NO.C39H23NO/c1-7-22-48-39(16-1)45-32-46-44-21-6-12-27-53(44)59-54(46)33-47(45)55(56-48)35-15-13-14-34(28-35)36-29-37(57-49-23-8-2-17-40(49)41-18-3-9-24-50(41)57)31-38(30-36)58-51-25-10-4-19-42(51)43-20-5-11-26-52(43)58;1-3-12-33(13-4-1)35-22-26-38(27-23-35)51(39-28-24-36(25-29-39)34-14-5-2-6-15-34)40-17-11-16-37(30-40)49-45-32-48-44(42-19-8-10-21-47(42)52-48)31-43(45)41-18-7-9-20-46(41)50-49;1-2-9-29-22-32(17-16-28(29)8-1)34-21-20-33-23-31(18-19-35(33)24-34)30-10-7-11-36(25-30)45-41-27-44-40(38-13-4-6-15-43(38)47-44)26-39(41)37-12-3-5-14-42(37)46-45;1-2-13-27-25(10-1)21-32(29-15-4-3-14-28(27)29)24-11-9-12-26(20-24)39-35-23-38-34(31-17-6-8-19-37(31)41-38)22-33(35)30-16-5-7-18-36(30)40-39/h1-33H;1-32H;1-27H;1-23H.

What are the key properties of 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;14-(3-phenanthren-9-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;14-(3-phenanthren-9-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 2536.03 g/mol, XLogP of 52.10, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;14-(3-phenanthren-9-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 161448394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).