5-(3-dibenzofuran-4-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;methane;5-(9-phenylcarbazol-3-yl)-11,12-dipyridin-2-ylindolo[2,3-a]carbazole;11-phenyl-5-(9-phenylcarbazol-3-yl)-12-pyridin-3-ylindolo[2,3-a]carbazole
C142H93N11O — CID 158669719
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-(3-dibenzofuran-4-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;methane;5-(9-phenylcarbazol-3-yl)-11,12-dipyridin-2-ylindolo[2,3-a]carbazole;11-phenyl-5-(9-phenylcarbazol-3-yl)-12-pyridin-3-ylindolo[2,3-a]carbazole
SMILESC.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5c4c4ccccc4n5-c4cccnc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6ccccn6)c5c5c4c4ccccc4n5-c4ccccn4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c4c5ccccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C48H30N2O.C47H30N4.C46H29N5.CH4/c1-3-17-33(18-4-1)49-42-26-10-7-21-36(42)41-30-40(45-39-23-8-11-27-43(39)50(47(45)46(41)49)34-19-5-2-6-20-34)32-16-13-15-31(29-32)35-24-14-25-38-37-22-9-12-28-44(37)51-48(35)38;1-3-14-32(15-4-1)49-41-22-10-7-19-35(41)39-28-31(25-26-44(39)49)38-29-40-36-20-8-11-23-42(36)50(33-16-5-2-6-17-33)46(40)47-45(38)37-21-9-12-24-43(37)51(47)34-18-13-27-48-30-34;1-2-14-31(15-3-1)49-38-19-7-4-16-32(38)36-28-30(24-25-41(36)49)35-29-37-33-17-5-8-20-39(33)50(42-22-10-12-26-47-42)45(37)46-44(35)34-18-6-9-21-40(34)51(46)43-23-11-13-27-48-43;/h2*1-30H;1-29H;1H4
InChIKeyIDUJAFIRIMPEKR-UHFFFAOYSA-N
MW1969.38 g/mol
LogP37.23
Rot. Bonds12
About 5-(3-dibenzofuran-4-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;methane;5-(9-phenylcarbazol-3-yl)-11,12-dipyridin-2-ylindolo[2,3-a]carbazole;11-phenyl-5-(9-phenylcarbazol-3-yl)-12-pyridin-3-ylindolo[2,3-a]carbazole
5-(3-dibenzofuran-4-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;methane;5-(9-phenylcarbazol-3-yl)-11,12-dipyridin-2-ylindolo[2,3-a]carbazole;11-phenyl-5-(9-phenylcarbazol-3-yl)-12-pyridin-3-ylindolo[2,3-a]carbazole (PubChem CID 158669719) has the molecular formula C142H93N11O and a molecular weight of 1969.38 g/mol. Its IUPAC name is 5-(3-dibenzofuran-4-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;methane;5-(9-phenylcarbazol-3-yl)-11,12-dipyridin-2-ylindolo[2,3-a]carbazole;11-phenyl-5-(9-phenylcarbazol-3-yl)-12-pyridin-3-ylindolo[2,3-a]carbazole.
Molecular Properties
| Compound Name | 5-(3-dibenzofuran-4-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;methane;5-(9-phenylcarbazol-3-yl)-11,12-dipyridin-2-ylindolo[2,3-a]carbazole;11-phenyl-5-(9-phenylcarbazol-3-yl)-12-pyridin-3-ylindolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 158669719 |
| Molecular Formula | C142H93N11O |
| Molecular Weight | 1969.38 g/mol |
| Exact Mass | 1967.76 |
| IUPAC Name | 5-(3-dibenzofuran-4-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;methane;5-(9-phenylcarbazol-3-yl)-11,12-dipyridin-2-ylindolo[2,3-a]carbazole;11-phenyl-5-(9-phenylcarbazol-3-yl)-12-pyridin-3-ylindolo[2,3-a]carbazole |
| SMILES | C.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5c4c4ccccc4n5-c4cccnc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6ccccn6)c5c5c4c4ccccc4n5-c4ccccn4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c4c5ccccc5n(-c5ccccc5)c4c32)cc1 |
| InChI | InChI=1S/C48H30N2O.C47H30N4.C46H29N5.CH4/c1-3-17-33(18-4-1)49-42-26-10-7-21-36(42)41-30-40(45-39-23-8-11-27-43(39)50(47(45)46(41)49)34-19-5-2-6-20-34)32-16-13-15-31(29-32)35-24-14-25-38-37-22-9-12-28-44(37)51-48(35)38;1-3-14-32(15-4-1)49-41-22-10-7-19-35(41)39-28-31(25-26-44(39)49)38-29-40-36-20-8-11-23-42(36)50(33-16-5-2-6-17-33)46(40)47-45(38)37-21-9-12-24-43(37)51(47)34-18-13-27-48-30-34;1-2-14-31(15-3-1)49-38-19-7-4-16-32(38)36-28-30(24-25-41(36)49)35-29-37-33-17-5-8-20-39(33)50(42-22-10-12-26-47-42)45(37)46-44(35)34-18-6-9-21-40(34)51(46)43-23-11-13-27-48-43;/h2*1-30H;1-29H;1H4 |
| InChIKey | IDUJAFIRIMPEKR-UHFFFAOYSA-N |
| XLogP | 37.23 |
| TPSA | 91.25 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 154 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1969.38 |
| LogP ≤ 5 | 37.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
Frequently Asked Questions
What is the IUPAC name of 5-(3-dibenzofuran-4-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;methane;5-(9-phenylcarbazol-3-yl)-11,12-dipyridin-2-ylindolo[2,3-a]carbazole;11-phenyl-5-(9-phenylcarbazol-3-yl)-12-pyridin-3-ylindolo[2,3-a]carbazole?
The IUPAC name of 5-(3-dibenzofuran-4-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;methane;5-(9-phenylcarbazol-3-yl)-11,12-dipyridin-2-ylindolo[2,3-a]carbazole;11-phenyl-5-(9-phenylcarbazol-3-yl)-12-pyridin-3-ylindolo[2,3-a]carbazole (CID 158669719) is 5-(3-dibenzofuran-4-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;methane;5-(9-phenylcarbazol-3-yl)-11,12-dipyridin-2-ylindolo[2,3-a]carbazole;11-phenyl-5-(9-phenylcarbazol-3-yl)-12-pyridin-3-ylindolo[2,3-a]carbazole.
What is the SMILES notation for 5-(3-dibenzofuran-4-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;methane;5-(9-phenylcarbazol-3-yl)-11,12-dipyridin-2-ylindolo[2,3-a]carbazole;11-phenyl-5-(9-phenylcarbazol-3-yl)-12-pyridin-3-ylindolo[2,3-a]carbazole?
The canonical SMILES for 5-(3-dibenzofuran-4-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;methane;5-(9-phenylcarbazol-3-yl)-11,12-dipyridin-2-ylindolo[2,3-a]carbazole;11-phenyl-5-(9-phenylcarbazol-3-yl)-12-pyridin-3-ylindolo[2,3-a]carbazole is C.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5c4c4ccccc4n5-c4cccnc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6ccccn6)c5c5c4c4ccccc4n5-c4ccccn4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c4c5ccccc5n(-c5ccccc5)c4c32)cc1.
What is the InChIKey of 5-(3-dibenzofuran-4-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;methane;5-(9-phenylcarbazol-3-yl)-11,12-dipyridin-2-ylindolo[2,3-a]carbazole;11-phenyl-5-(9-phenylcarbazol-3-yl)-12-pyridin-3-ylindolo[2,3-a]carbazole?
The InChIKey is IDUJAFIRIMPEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O.C47H30N4.C46H29N5.CH4/c1-3-17-33(18-4-1)49-42-26-10-7-21-36(42)41-30-40(45-39-23-8-11-27-43(39)50(47(45)46(41)49)34-19-5-2-6-20-34)32-16-13-15-31(29-32)35-24-14-25-38-37-22-9-12-28-44(37)51-48(35)38;1-3-14-32(15-4-1)49-41-22-10-7-19-35(41)39-28-31(25-26-44(39)49)38-29-40-36-20-8-11-23-42(36)50(33-16-5-2-6-17-33)46(40)47-45(38)37-21-9-12-24-43(37)51(47)34-18-13-27-48-30-34;1-2-14-31(15-3-1)49-38-19-7-4-16-32(38)36-28-30(24-25-41(36)49)35-29-37-33-17-5-8-20-39(33)50(42-22-10-12-26-47-42)45(37)46-44(35)34-18-6-9-21-40(34)51(46)43-23-11-13-27-48-43;/h2*1-30H;1-29H;1H4.
What are the key properties of 5-(3-dibenzofuran-4-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;methane;5-(9-phenylcarbazol-3-yl)-11,12-dipyridin-2-ylindolo[2,3-a]carbazole;11-phenyl-5-(9-phenylcarbazol-3-yl)-12-pyridin-3-ylindolo[2,3-a]carbazole?
5-(3-dibenzofuran-4-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;methane;5-(9-phenylcarbazol-3-yl)-11,12-dipyridin-2-ylindolo[2,3-a]carbazole;11-phenyl-5-(9-phenylcarbazol-3-yl)-12-pyridin-3-ylindolo[2,3-a]carbazole has a molecular weight of 1969.38 g/mol, XLogP of 37.23, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-dibenzofuran-4-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;methane;5-(9-phenylcarbazol-3-yl)-11,12-dipyridin-2-ylindolo[2,3-a]carbazole;11-phenyl-5-(9-phenylcarbazol-3-yl)-12-pyridin-3-ylindolo[2,3-a]carbazole is sourced from PubChem (CID 158669719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158669719 — identifiers, structure, computed properties (public domain)
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