15-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-9-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C208H124N16O4 — CID 161451676

About 15-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-9-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

15-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-9-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 161451676) has the molecular formula C208H124N16O4 and a molecular weight of 2911.39 g/mol. Its IUPAC name is 15-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-9-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

• Compound Name: 15-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-9-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• PubChem CID: 161451676
• Molecular Formula: C208H124N16O4
• Molecular Weight: 2911.39 g/mol
• Exact Mass: 2909.00
• IUPAC Name: 15-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-9-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)Oc5ccccc5-6)ccc43)c2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)Oc5ccccc5-6)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)Oc5ccccc5-6)ccc43)c2)cc1.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cc7ccccc7c7ccccc67)ccc54)nc-2c13
• InChI: InChI=1S/C56H34N4O.C52H30N4O.2C50H30N4O/c1-3-14-35(15-4-1)39-30-40(36-16-5-2-6-17-36)32-41(31-39)59-48-22-10-7-18-42(48)45-33-37(26-28-50(45)59)38-27-29-51-46(34-38)43-19-8-11-23-49(43)60(51)56-57-47-21-13-25-53-54(47)55(58-56)44-20-9-12-24-52(44)61-53;1-2-13-34-33(12-1)30-47(36-15-4-3-14-35(34)36)55-43-20-8-5-16-37(43)40-28-31(24-26-45(40)55)32-25-27-46-41(29-32)38-17-6-9-21-44(38)56(46)52-53-42-19-11-23-49-50(42)51(54-52)39-18-7-10-22-48(39)57-49;1-2-12-31(13-3-1)32-14-10-15-35(28-32)53-42-20-7-4-16-36(42)39-29-33(24-26-44(39)53)34-25-27-45-40(30-34)37-17-5-8-21-43(37)54(45)50-51-41-19-11-23-47-48(41)49(52-50)38-18-6-9-22-46(38)55-47;1-2-11-31(12-3-1)32-21-25-35(26-22-32)53-42-17-7-4-13-36(42)39-29-33(23-27-44(39)53)34-24-28-45-40(30-34)37-14-5-8-18-43(37)54(45)50-51-41-16-10-20-47-48(41)49(52-50)38-15-6-9-19-46(38)55-47/h1-34H;1-30H;2*1-30H
• InChIKey: WAPNZEHKFVMDRX-UHFFFAOYSA-N
• XLogP: 54.03
• TPSA: 179.48 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2911.39
LogP ≤ 5	54.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-9-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The IUPAC name of 15-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-9-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 161451676) is 15-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-9-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

What is the SMILES notation for 15-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-9-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The canonical SMILES for 15-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-9-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)Oc5ccccc5-6)ccc43)c2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)Oc5ccccc5-6)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)Oc5ccccc5-6)ccc43)c2)cc1.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cc7ccccc7c7ccccc67)ccc54)nc-2c13.

What is the InChIKey of 15-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-9-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The InChIKey is WAPNZEHKFVMDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O.C52H30N4O.2C50H30N4O/c1-3-14-35(15-4-1)39-30-40(36-16-5-2-6-17-36)32-41(31-39)59-48-22-10-7-18-42(48)45-33-37(26-28-50(45)59)38-27-29-51-46(34-38)43-19-8-11-23-49(43)60(51)56-57-47-21-13-25-53-54(47)55(58-56)44-20-9-12-24-52(44)61-53;1-2-13-34-33(12-1)30-47(36-15-4-3-14-35(34)36)55-43-20-8-5-16-37(43)40-28-31(24-26-45(40)55)32-25-27-46-41(29-32)38-17-6-9-21-44(38)56(46)52-53-42-19-11-23-49-50(42)51(54-52)39-18-7-10-22-48(39)57-49;1-2-12-31(13-3-1)32-14-10-15-35(28-32)53-42-20-7-4-16-36(42)39-29-33(24-26-44(39)53)34-25-27-45-40(30-34)37-17-5-8-21-43(37)54(45)50-51-41-19-11-23-47-48(41)49(52-50)38-18-6-9-22-46(38)55-47;1-2-11-31(12-3-1)32-21-25-35(26-22-32)53-42-17-7-4-13-36(42)39-29-33(23-27-44(39)53)34-24-28-45-40(30-34)37-14-5-8-18-43(37)54(45)50-51-41-16-10-20-47-48(41)49(52-50)38-15-6-9-19-46(38)55-47/h1-34H;1-30H;2*1-30H.

What are the key properties of 15-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-9-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

15-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-9-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 2911.39 g/mol, XLogP of 54.03, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-9-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 161451676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).