3-(9H-carbazol-3-yl)-9-phenylcarbazole;bis(15-(3-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-[3-[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

C120H72Cl2N10O3 — CID 160715918

About 3-(9H-carbazol-3-yl)-9-phenylcarbazole;bis(15-(3-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-[3-[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;bis(15-(3-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-[3-[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 160715918) has the molecular formula C120H72Cl2N10O3 and a molecular weight of 1772.87 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-9-phenylcarbazole;bis(15-(3-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-[3-[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;bis(15-(3-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-[3-[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: 160715918
• Molecular Formula: C120H72Cl2N10O3
• Molecular Weight: 1772.87 g/mol
• Exact Mass: 1770.52
• IUPAC Name: 3-(9H-carbazol-3-yl)-9-phenylcarbazole;bis(15-(3-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-[3-[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: Clc1cccc(-c2cnc3oc4ccc5ccccc5c4c3n2)c1.Clc1cccc(-c2cnc3oc4ccc5ccccc5c4c3n2)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cnc6oc7ccc8ccccc8c7c6n5)c4)ccc32)cc1
• InChI: InChI=1S/C50H30N4O.C30H20N2.2C20H11ClN2O/c1-2-13-35(14-3-1)53-43-19-8-6-17-38(43)40-28-32(21-24-45(40)53)33-22-25-46-41(29-33)39-18-7-9-20-44(39)54(46)36-15-10-12-34(27-36)42-30-51-50-49(52-42)48-37-16-5-4-11-31(37)23-26-47(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;2*21-14-6-3-5-13(10-14)16-11-22-20-19(23-16)18-15-7-2-1-4-12(15)8-9-17(18)24-20/h1-30H;1-19,31H;2*1-11H
• InChIKey: RSLWTOPXHOYAJQ-UHFFFAOYSA-N
• XLogP: 32.84
• TPSA: 147.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1772.87
LogP ≤ 5	32.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-3-yl)-9-phenylcarbazole;bis(15-(3-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-[3-[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;bis(15-(3-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-[3-[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 160715918) is 3-(9H-carbazol-3-yl)-9-phenylcarbazole;bis(15-(3-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-[3-[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;bis(15-(3-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-[3-[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;bis(15-(3-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-[3-[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 Clc1cccc(-c2cnc3oc4ccc5ccccc5c4c3n2)c1.Clc1cccc(-c2cnc3oc4ccc5ccccc5c4c3n2)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cnc6oc7ccc8ccccc8c7c6n5)c4)ccc32)cc1.

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

What are the key properties of 3-(9H-carbazol-3-yl)-9-phenylcarbazole;bis(15-(3-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-[3-[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;bis(15-(3-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-[3-[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 1772.87 g/mol, XLogP of 32.84, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9H-carbazol-3-yl)-9-phenylcarbazole;bis(15-(3-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-[3-[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 160715918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).