3-(9H-carbazol-3-yl)-9-phenylcarbazole;15-(4-chlorophenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C100H61ClN8O2 — CID 159120105

About 3-(9H-carbazol-3-yl)-9-phenylcarbazole;15-(4-chlorophenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

3-(9H-carbazol-3-yl)-9-phenylcarbazole;15-(4-chlorophenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 159120105) has the molecular formula C100H61ClN8O2 and a molecular weight of 1442.09 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-9-phenylcarbazole;15-(4-chlorophenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

• Compound Name: 3-(9H-carbazol-3-yl)-9-phenylcarbazole;15-(4-chlorophenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• PubChem CID: 159120105
• Molecular Formula: C100H61ClN8O2
• Molecular Weight: 1442.09 g/mol
• Exact Mass: 1440.46
• IUPAC Name: 3-(9H-carbazol-3-yl)-9-phenylcarbazole;15-(4-chlorophenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• SMILES: Clc1ccc(-c2cnc3oc4ccc5ccccc5c4c3n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cnc6oc7ccc8ccccc8c7c6n5)cc4)ccc32)cc1
• InChI: InChI=1S/C50H30N4O.C30H20N2.C20H11ClN2O/c1-2-11-35(12-3-1)53-43-16-8-6-14-38(43)40-28-33(20-25-45(40)53)34-21-26-46-41(29-34)39-15-7-9-17-44(39)54(46)36-23-18-32(19-24-36)42-30-51-50-49(52-42)48-37-13-5-4-10-31(37)22-27-47(48)55-50;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;21-14-8-5-13(6-9-14)16-11-22-20-19(23-16)18-15-4-2-1-3-12(15)7-10-17(18)24-20/h1-30H;1-19,31H;1-11H
• InChIKey: KFOYEQMTRIPEAU-UHFFFAOYSA-N
• XLogP: 26.99
• TPSA: 108.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1442.09
LogP ≤ 5	26.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-3-yl)-9-phenylcarbazole;15-(4-chlorophenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The IUPAC name of 3-(9H-carbazol-3-yl)-9-phenylcarbazole;15-(4-chlorophenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 159120105) is 3-(9H-carbazol-3-yl)-9-phenylcarbazole;15-(4-chlorophenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

What is the SMILES notation for 3-(9H-carbazol-3-yl)-9-phenylcarbazole;15-(4-chlorophenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The canonical SMILES for 3-(9H-carbazol-3-yl)-9-phenylcarbazole;15-(4-chlorophenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is Clc1ccc(-c2cnc3oc4ccc5ccccc5c4c3n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cnc6oc7ccc8ccccc8c7c6n5)cc4)ccc32)cc1.

What is the InChIKey of 3-(9H-carbazol-3-yl)-9-phenylcarbazole;15-(4-chlorophenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The InChIKey is KFOYEQMTRIPEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O.C30H20N2.C20H11ClN2O/c1-2-11-35(12-3-1)53-43-16-8-6-14-38(43)40-28-33(20-25-45(40)53)34-21-26-46-41(29-34)39-15-7-9-17-44(39)54(46)36-23-18-32(19-24-36)42-30-51-50-49(52-42)48-37-13-5-4-10-31(37)22-27-47(48)55-50;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;21-14-8-5-13(6-9-14)16-11-22-20-19(23-16)18-15-4-2-1-3-12(15)7-10-17(18)24-20/h1-30H;1-19,31H;1-11H.

What are the key properties of 3-(9H-carbazol-3-yl)-9-phenylcarbazole;15-(4-chlorophenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

3-(9H-carbazol-3-yl)-9-phenylcarbazole;15-(4-chlorophenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 1442.09 g/mol, XLogP of 26.99, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9H-carbazol-3-yl)-9-phenylcarbazole;15-(4-chlorophenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 159120105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).