3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
C197H125N13OS2 — CID 158788223
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)nc4ccccc34)cc21.c1ccc(-c2ccc(-c3cccc(-c4nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)nc5ccccc45)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc(-n5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc65)nc5ccccc45)c3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)nc4ccccc34)c2)cc1
InChIInChI=1S/C56H36N4.C50H31N3S.C47H31N3S.C44H27N3O/c1-3-14-37(15-4-1)38-26-28-39(29-27-38)40-16-13-17-43(34-40)55-47-22-7-10-23-50(47)57-56(58-55)60-52-25-12-9-21-46(52)49-36-42(31-33-54(49)60)41-30-32-53-48(35-41)45-20-8-11-24-51(45)59(53)44-18-5-2-6-19-44;1-2-11-32(12-3-1)33-21-23-34(24-22-33)35-13-10-14-38(29-35)49-41-17-4-7-18-44(41)51-50(52-49)53-45-19-8-5-15-39(45)42-30-36(25-27-46(42)53)37-26-28-48-43(31-37)40-16-6-9-20-47(40)54-48;1-47(2)38-15-7-3-11-31(38)32-22-19-30(27-39(32)47)45-35-14-4-8-16-40(35)48-46(49-45)50-41-17-9-5-12-33(41)36-25-28(20-23-42(36)50)29-21-24-44-37(26-29)34-13-6-10-18-43(34)51-44;1-2-11-28(12-3-1)29-13-10-14-32(25-29)43-35-17-4-7-18-38(35)45-44(46-43)47-39-19-8-5-15-33(39)36-26-30(21-23-40(36)47)31-22-24-42-37(27-31)34-16-6-9-20-41(34)48-42/h1-36H;1-31H;3-27H,1-2H3;1-27H
InChIKeyIRYIFCOZIDDPES-UHFFFAOYSA-N
MW2754.39 g/mol
LogP52.62
Rot. Bonds18
About 3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole (PubChem CID 158788223) has the molecular formula C197H125N13OS2 and a molecular weight of 2754.39 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole.
Molecular Properties
| Compound Name | 3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole |
|---|---|
| PubChem CID | 158788223 |
| Molecular Formula | C197H125N13OS2 |
| Molecular Weight | 2754.39 g/mol |
| Exact Mass | 2751.96 |
| IUPAC Name | 3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)nc4ccccc34)cc21.c1ccc(-c2ccc(-c3cccc(-c4nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)nc5ccccc45)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc(-n5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc65)nc5ccccc45)c3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)nc4ccccc34)c2)cc1 |
| InChI | InChI=1S/C56H36N4.C50H31N3S.C47H31N3S.C44H27N3O/c1-3-14-37(15-4-1)38-26-28-39(29-27-38)40-16-13-17-43(34-40)55-47-22-7-10-23-50(47)57-56(58-55)60-52-25-12-9-21-46(52)49-36-42(31-33-54(49)60)41-30-32-53-48(35-41)45-20-8-11-24-51(45)59(53)44-18-5-2-6-19-44;1-2-11-32(12-3-1)33-21-23-34(24-22-33)35-13-10-14-38(29-35)49-41-17-4-7-18-44(41)51-50(52-49)53-45-19-8-5-15-39(45)42-30-36(25-27-46(42)53)37-26-28-48-43(31-37)40-16-6-9-20-47(40)54-48;1-47(2)38-15-7-3-11-31(38)32-22-19-30(27-39(32)47)45-35-14-4-8-16-40(35)48-46(49-45)50-41-17-9-5-12-33(41)36-25-28(20-23-42(36)50)29-21-24-44-37(26-29)34-13-6-10-18-43(34)51-44;1-2-11-28(12-3-1)29-13-10-14-32(25-29)43-35-17-4-7-18-38(35)45-44(46-43)47-39-19-8-5-15-33(39)36-26-30(21-23-40(36)47)31-22-24-42-37(27-31)34-16-6-9-20-41(34)48-42/h1-36H;1-31H;3-27H,1-2H3;1-27H |
| InChIKey | IRYIFCOZIDDPES-UHFFFAOYSA-N |
| XLogP | 52.62 |
| TPSA | 140.91 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 213 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2754.39 |
| LogP ≤ 5 | 52.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
Frequently Asked Questions
What is the IUPAC name of 3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole (CID 158788223) is 3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)nc4ccccc34)cc21.c1ccc(-c2ccc(-c3cccc(-c4nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)nc5ccccc45)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc(-n5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc65)nc5ccccc45)c3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)nc4ccccc34)c2)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole?
The InChIKey is IRYIFCOZIDDPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4.C50H31N3S.C47H31N3S.C44H27N3O/c1-3-14-37(15-4-1)38-26-28-39(29-27-38)40-16-13-17-43(34-40)55-47-22-7-10-23-50(47)57-56(58-55)60-52-25-12-9-21-46(52)49-36-42(31-33-54(49)60)41-30-32-53-48(35-41)45-20-8-11-24-51(45)59(53)44-18-5-2-6-19-44;1-2-11-32(12-3-1)33-21-23-34(24-22-33)35-13-10-14-38(29-35)49-41-17-4-7-18-44(41)51-50(52-49)53-45-19-8-5-15-39(45)42-30-36(25-27-46(42)53)37-26-28-48-43(31-37)40-16-6-9-20-47(40)54-48;1-47(2)38-15-7-3-11-31(38)32-22-19-30(27-39(32)47)45-35-14-4-8-16-40(35)48-46(49-45)50-41-17-9-5-12-33(41)36-25-28(20-23-42(36)50)29-21-24-44-37(26-29)34-13-6-10-18-43(34)51-44;1-2-11-28(12-3-1)29-13-10-14-32(25-29)43-35-17-4-7-18-38(35)45-44(46-43)47-39-19-8-5-15-33(39)36-26-30(21-23-40(36)47)31-22-24-42-37(27-31)34-16-6-9-20-41(34)48-42/h1-36H;1-31H;3-27H,1-2H3;1-27H.
What are the key properties of 3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole?
3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole has a molecular weight of 2754.39 g/mol, XLogP of 52.62, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole is sourced from PubChem (CID 158788223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158788223 — identifiers, structure, computed properties (public domain)
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