12-(3-dibenzofuran-4-ylphenyl)-5,7-diphenylindolo[2,3-b]carbazole;12-(9-phenylcarbazol-3-yl)-5,7-dipyridin-2-ylindolo[2,3-b]carbazole;7-phenyl-12-(9-phenylcarbazol-3-yl)-5-pyridin-3-ylindolo[2,3-b]carbazole
C141H89N11O — CID 158758201
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC12-(3-dibenzofuran-4-ylphenyl)-5,7-diphenylindolo[2,3-b]carbazole;12-(9-phenylcarbazol-3-yl)-5,7-dipyridin-2-ylindolo[2,3-b]carbazole;7-phenyl-12-(9-phenylcarbazol-3-yl)-5-pyridin-3-ylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c4c5ccccc5n(-c5ccccc5)c4cc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4c5c6ccccc6n(-c6ccccc6)c5cc5c4c4ccccc4n5-c4cccnc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4c5c6ccccc6n(-c6ccccn6)c5cc5c4c4ccccc4n5-c4ccccn4)ccc32)cc1
InChIInChI=1S/C48H30N2O.C47H30N4.C46H29N5/c1-3-17-33(18-4-1)49-40-26-10-7-22-38(40)46-42(49)30-43-47(39-23-8-11-27-41(39)50(43)34-19-5-2-6-20-34)45(46)32-16-13-15-31(29-32)35-24-14-25-37-36-21-9-12-28-44(36)51-48(35)37;1-3-14-32(15-4-1)49-39-22-10-7-19-35(39)38-28-31(25-26-42(38)49)45-46-36-20-8-11-23-40(36)50(33-16-5-2-6-17-33)43(46)29-44-47(45)37-21-9-12-24-41(37)51(44)34-18-13-27-48-30-34;1-2-14-31(15-3-1)49-36-19-7-4-16-32(36)35-28-30(24-25-39(35)49)44-45-33-17-5-8-20-37(33)50(42-22-10-12-26-47-42)40(45)29-41-46(44)34-18-6-9-21-38(34)51(41)43-23-11-13-27-48-43/h2*1-30H;1-29H
InChIKeyIOIMJYHKARZDNV-UHFFFAOYSA-N
MW1953.34 g/mol
LogP36.59
Rot. Bonds12
About 12-(3-dibenzofuran-4-ylphenyl)-5,7-diphenylindolo[2,3-b]carbazole;12-(9-phenylcarbazol-3-yl)-5,7-dipyridin-2-ylindolo[2,3-b]carbazole;7-phenyl-12-(9-phenylcarbazol-3-yl)-5-pyridin-3-ylindolo[2,3-b]carbazole
12-(3-dibenzofuran-4-ylphenyl)-5,7-diphenylindolo[2,3-b]carbazole;12-(9-phenylcarbazol-3-yl)-5,7-dipyridin-2-ylindolo[2,3-b]carbazole;7-phenyl-12-(9-phenylcarbazol-3-yl)-5-pyridin-3-ylindolo[2,3-b]carbazole (PubChem CID 158758201) has the molecular formula C141H89N11O and a molecular weight of 1953.34 g/mol. Its IUPAC name is 12-(3-dibenzofuran-4-ylphenyl)-5,7-diphenylindolo[2,3-b]carbazole;12-(9-phenylcarbazol-3-yl)-5,7-dipyridin-2-ylindolo[2,3-b]carbazole;7-phenyl-12-(9-phenylcarbazol-3-yl)-5-pyridin-3-ylindolo[2,3-b]carbazole.
Molecular Properties
| Compound Name | 12-(3-dibenzofuran-4-ylphenyl)-5,7-diphenylindolo[2,3-b]carbazole;12-(9-phenylcarbazol-3-yl)-5,7-dipyridin-2-ylindolo[2,3-b]carbazole;7-phenyl-12-(9-phenylcarbazol-3-yl)-5-pyridin-3-ylindolo[2,3-b]carbazole |
|---|---|
| PubChem CID | 158758201 |
| Molecular Formula | C141H89N11O |
| Molecular Weight | 1953.34 g/mol |
| Exact Mass | 1951.73 |
| IUPAC Name | 12-(3-dibenzofuran-4-ylphenyl)-5,7-diphenylindolo[2,3-b]carbazole;12-(9-phenylcarbazol-3-yl)-5,7-dipyridin-2-ylindolo[2,3-b]carbazole;7-phenyl-12-(9-phenylcarbazol-3-yl)-5-pyridin-3-ylindolo[2,3-b]carbazole |
| SMILES | c1ccc(-n2c3ccccc3c3c(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c4c5ccccc5n(-c5ccccc5)c4cc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4c5c6ccccc6n(-c6ccccc6)c5cc5c4c4ccccc4n5-c4cccnc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4c5c6ccccc6n(-c6ccccn6)c5cc5c4c4ccccc4n5-c4ccccn4)ccc32)cc1 |
| InChI | InChI=1S/C48H30N2O.C47H30N4.C46H29N5/c1-3-17-33(18-4-1)49-40-26-10-7-22-38(40)46-42(49)30-43-47(39-23-8-11-27-41(39)50(43)34-19-5-2-6-20-34)45(46)32-16-13-15-31(29-32)35-24-14-25-37-36-21-9-12-28-44(36)51-48(35)37;1-3-14-32(15-4-1)49-39-22-10-7-19-35(39)38-28-31(25-26-42(38)49)45-46-36-20-8-11-23-40(36)50(33-16-5-2-6-17-33)43(46)29-44-47(45)37-21-9-12-24-41(37)51(44)34-18-13-27-48-30-34;1-2-14-31(15-3-1)49-36-19-7-4-16-32(36)35-28-30(24-25-39(35)49)44-45-33-17-5-8-20-37(33)50(42-22-10-12-26-47-42)40(45)29-41-46(44)34-18-6-9-21-38(34)51(41)43-23-11-13-27-48-43/h2*1-30H;1-29H |
| InChIKey | IOIMJYHKARZDNV-UHFFFAOYSA-N |
| XLogP | 36.59 |
| TPSA | 91.25 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 153 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1953.34 |
| LogP ≤ 5 | 36.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
Frequently Asked Questions
What is the IUPAC name of 12-(3-dibenzofuran-4-ylphenyl)-5,7-diphenylindolo[2,3-b]carbazole;12-(9-phenylcarbazol-3-yl)-5,7-dipyridin-2-ylindolo[2,3-b]carbazole;7-phenyl-12-(9-phenylcarbazol-3-yl)-5-pyridin-3-ylindolo[2,3-b]carbazole?
The IUPAC name of 12-(3-dibenzofuran-4-ylphenyl)-5,7-diphenylindolo[2,3-b]carbazole;12-(9-phenylcarbazol-3-yl)-5,7-dipyridin-2-ylindolo[2,3-b]carbazole;7-phenyl-12-(9-phenylcarbazol-3-yl)-5-pyridin-3-ylindolo[2,3-b]carbazole (CID 158758201) is 12-(3-dibenzofuran-4-ylphenyl)-5,7-diphenylindolo[2,3-b]carbazole;12-(9-phenylcarbazol-3-yl)-5,7-dipyridin-2-ylindolo[2,3-b]carbazole;7-phenyl-12-(9-phenylcarbazol-3-yl)-5-pyridin-3-ylindolo[2,3-b]carbazole.
What is the SMILES notation for 12-(3-dibenzofuran-4-ylphenyl)-5,7-diphenylindolo[2,3-b]carbazole;12-(9-phenylcarbazol-3-yl)-5,7-dipyridin-2-ylindolo[2,3-b]carbazole;7-phenyl-12-(9-phenylcarbazol-3-yl)-5-pyridin-3-ylindolo[2,3-b]carbazole?
The canonical SMILES for 12-(3-dibenzofuran-4-ylphenyl)-5,7-diphenylindolo[2,3-b]carbazole;12-(9-phenylcarbazol-3-yl)-5,7-dipyridin-2-ylindolo[2,3-b]carbazole;7-phenyl-12-(9-phenylcarbazol-3-yl)-5-pyridin-3-ylindolo[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3c(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c4c5ccccc5n(-c5ccccc5)c4cc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4c5c6ccccc6n(-c6ccccc6)c5cc5c4c4ccccc4n5-c4cccnc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4c5c6ccccc6n(-c6ccccn6)c5cc5c4c4ccccc4n5-c4ccccn4)ccc32)cc1.
What is the InChIKey of 12-(3-dibenzofuran-4-ylphenyl)-5,7-diphenylindolo[2,3-b]carbazole;12-(9-phenylcarbazol-3-yl)-5,7-dipyridin-2-ylindolo[2,3-b]carbazole;7-phenyl-12-(9-phenylcarbazol-3-yl)-5-pyridin-3-ylindolo[2,3-b]carbazole?
The InChIKey is IOIMJYHKARZDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O.C47H30N4.C46H29N5/c1-3-17-33(18-4-1)49-40-26-10-7-22-38(40)46-42(49)30-43-47(39-23-8-11-27-41(39)50(43)34-19-5-2-6-20-34)45(46)32-16-13-15-31(29-32)35-24-14-25-37-36-21-9-12-28-44(36)51-48(35)37;1-3-14-32(15-4-1)49-39-22-10-7-19-35(39)38-28-31(25-26-42(38)49)45-46-36-20-8-11-23-40(36)50(33-16-5-2-6-17-33)43(46)29-44-47(45)37-21-9-12-24-41(37)51(44)34-18-13-27-48-30-34;1-2-14-31(15-3-1)49-36-19-7-4-16-32(36)35-28-30(24-25-39(35)49)44-45-33-17-5-8-20-37(33)50(42-22-10-12-26-47-42)40(45)29-41-46(44)34-18-6-9-21-38(34)51(41)43-23-11-13-27-48-43/h2*1-30H;1-29H.
What are the key properties of 12-(3-dibenzofuran-4-ylphenyl)-5,7-diphenylindolo[2,3-b]carbazole;12-(9-phenylcarbazol-3-yl)-5,7-dipyridin-2-ylindolo[2,3-b]carbazole;7-phenyl-12-(9-phenylcarbazol-3-yl)-5-pyridin-3-ylindolo[2,3-b]carbazole?
12-(3-dibenzofuran-4-ylphenyl)-5,7-diphenylindolo[2,3-b]carbazole;12-(9-phenylcarbazol-3-yl)-5,7-dipyridin-2-ylindolo[2,3-b]carbazole;7-phenyl-12-(9-phenylcarbazol-3-yl)-5-pyridin-3-ylindolo[2,3-b]carbazole has a molecular weight of 1953.34 g/mol, XLogP of 36.59, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-dibenzofuran-4-ylphenyl)-5,7-diphenylindolo[2,3-b]carbazole;12-(9-phenylcarbazol-3-yl)-5,7-dipyridin-2-ylindolo[2,3-b]carbazole;7-phenyl-12-(9-phenylcarbazol-3-yl)-5-pyridin-3-ylindolo[2,3-b]carbazole is sourced from PubChem (CID 158758201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158758201 — identifiers, structure, computed properties (public domain)
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