15-[8-(9-naphthalen-2-ylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazol-11-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

C154H90N12O3 — CID 160916201

About 15-[8-(9-naphthalen-2-ylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazol-11-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-[8-(9-naphthalen-2-ylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazol-11-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 160916201) has the molecular formula C154H90N12O3 and a molecular weight of 2156.49 g/mol. Its IUPAC name is 15-[8-(9-naphthalen-2-ylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazol-11-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-[8-(9-naphthalen-2-ylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazol-11-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: 160916201
• Molecular Formula: C154H90N12O3
• Molecular Weight: 2156.49 g/mol
• Exact Mass: 2154.73
• IUPAC Name: 15-[8-(9-naphthalen-2-ylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazol-11-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(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5nc6c7c(cccc7n5)Oc5ccccc5-6)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4nc5c6c(cccc6n4)Oc4ccccc4-5)ccc32)cc1.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)cc5c5ccc6ccccc6c54)nc-2c13
• InChI: InChI=1S/C54H32N4O.C52H30N4O.C48H28N4O/c1-2-11-33(12-3-1)34-21-26-38(27-22-34)57-46-18-8-6-15-40(46)43-31-36(24-29-47(43)57)37-25-30-48-44(32-37)41-28-23-35-13-4-5-14-39(35)53(41)58(48)54-55-45-17-10-20-50-51(45)52(56-54)42-16-7-9-19-49(42)59-50;1-2-12-33-28-36(24-20-31(33)10-1)55-44-17-7-5-14-38(44)41-29-34(22-26-45(41)55)35-23-27-46-42(30-35)39-25-21-32-11-3-4-13-37(32)51(39)56(46)52-53-43-16-9-19-48-49(43)50(54-52)40-15-6-8-18-47(40)57-48;1-2-12-32(13-3-1)51-40-18-8-6-15-34(40)37-27-30(22-25-41(37)51)31-23-26-42-38(28-31)35-24-21-29-11-4-5-14-33(29)47(35)52(42)48-49-39-17-10-20-44-45(39)46(50-48)36-16-7-9-19-43(36)53-44/h1-32H;1-30H;1-28H
• InChIKey: SRKXIFRHRRFEHT-UHFFFAOYSA-N
• XLogP: 40.07
• TPSA: 134.61 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2156.49
LogP ≤ 5	40.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 15-[8-(9-naphthalen-2-ylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazol-11-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-[8-(9-naphthalen-2-ylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazol-11-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 160916201) is 15-[8-(9-naphthalen-2-ylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazol-11-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-[8-(9-naphthalen-2-ylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazol-11-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-[8-(9-naphthalen-2-ylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazol-11-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(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5nc6c7c(cccc7n5)Oc5ccccc5-6)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4nc5c6c(cccc6n4)Oc4ccccc4-5)ccc32)cc1.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)cc5c5ccc6ccccc6c54)nc-2c13.

What is the InChIKey of 15-[8-(9-naphthalen-2-ylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazol-11-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 SRKXIFRHRRFEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O.C52H30N4O.C48H28N4O/c1-2-11-33(12-3-1)34-21-26-38(27-22-34)57-46-18-8-6-15-40(46)43-31-36(24-29-47(43)57)37-25-30-48-44(32-37)41-28-23-35-13-4-5-14-39(35)53(41)58(48)54-55-45-17-10-20-50-51(45)52(56-54)42-16-7-9-19-49(42)59-50;1-2-12-33-28-36(24-20-31(33)10-1)55-44-17-7-5-14-38(44)41-29-34(22-26-45(41)55)35-23-27-46-42(30-35)39-25-21-32-11-3-4-13-37(32)51(39)56(46)52-53-43-16-9-19-48-49(43)50(54-52)40-15-6-8-18-47(40)57-48;1-2-12-32(13-3-1)51-40-18-8-6-15-34(40)37-27-30(22-25-41(37)51)31-23-26-42-38(28-31)35-24-21-29-11-4-5-14-33(29)47(35)52(42)48-49-39-17-10-20-44-45(39)46(50-48)36-16-7-9-19-43(36)53-44/h1-32H;1-30H;1-28H.

What are the key properties of 15-[8-(9-naphthalen-2-ylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazol-11-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-[8-(9-naphthalen-2-ylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazol-11-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 2156.49 g/mol, XLogP of 40.07, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[8-(9-naphthalen-2-ylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-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-[8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazol-11-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 160916201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).