2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile
C143H83N13 — CID 161057241
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4cc5c(c6ccccc46)c4ccccc4n5-c4ccccc4)cc3c3c4ccccc4ccc32)nc2ccccc12.N#Cc1cc(-n2c3ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)cc3c3c4ccccc4ccc32)nc2ccccc12.N#Cc1nc(-n2c3ccc(-c4cc5c(c6ccccc46)c4ccccc4n5-c4ccccc4)cc3c3c4ccccc4ccc32)nc2ccccc12
InChIInChI=1S/2C48H28N4.C47H27N5/c49-29-34-28-46(50-41-17-9-8-14-36(34)41)52-43-23-21-33(27-40(43)48-38-16-7-5-11-31(38)19-25-45(48)52)32-20-22-42-39(26-32)47-37-15-6-4-10-30(37)18-24-44(47)51(42)35-12-2-1-3-13-35;49-29-32-27-46(50-41-20-10-8-15-34(32)41)52-43-24-23-31(26-40(43)47-35-16-5-4-12-30(35)22-25-44(47)52)39-28-45-48(37-18-7-6-17-36(37)39)38-19-9-11-21-42(38)51(45)33-13-2-1-3-14-33;48-28-40-35-18-8-10-20-39(35)49-47(50-40)52-42-24-23-30(26-38(42)45-32-15-5-4-12-29(32)22-25-43(45)52)37-27-44-46(34-17-7-6-16-33(34)37)36-19-9-11-21-41(36)51(44)31-13-2-1-3-14-31/h2*1-28H;1-27H
InChIKeyUCXIWJURHHRLLJ-UHFFFAOYSA-N
MW1983.33 g/mol
LogP36.22
Rot. Bonds9
About 2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile
2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile (PubChem CID 161057241) has the molecular formula C143H83N13 and a molecular weight of 1983.33 g/mol. Its IUPAC name is 2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile.
Molecular Properties
| Compound Name | 2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile |
|---|---|
| PubChem CID | 161057241 |
| Molecular Formula | C143H83N13 |
| Molecular Weight | 1983.33 g/mol |
| Exact Mass | 1981.69 |
| IUPAC Name | 2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile |
| SMILES | N#Cc1cc(-n2c3ccc(-c4cc5c(c6ccccc46)c4ccccc4n5-c4ccccc4)cc3c3c4ccccc4ccc32)nc2ccccc12.N#Cc1cc(-n2c3ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)cc3c3c4ccccc4ccc32)nc2ccccc12.N#Cc1nc(-n2c3ccc(-c4cc5c(c6ccccc46)c4ccccc4n5-c4ccccc4)cc3c3c4ccccc4ccc32)nc2ccccc12 |
| InChI | InChI=1S/2C48H28N4.C47H27N5/c49-29-34-28-46(50-41-17-9-8-14-36(34)41)52-43-23-21-33(27-40(43)48-38-16-7-5-11-31(38)19-25-45(48)52)32-20-22-42-39(26-32)47-37-15-6-4-10-30(37)18-24-44(47)51(42)35-12-2-1-3-13-35;49-29-32-27-46(50-41-20-10-8-15-34(32)41)52-43-24-23-31(26-40(43)47-35-16-5-4-12-30(35)22-25-44(47)52)39-28-45-48(37-18-7-6-17-36(37)39)38-19-9-11-21-42(38)51(45)33-13-2-1-3-14-33;48-28-40-35-18-8-10-20-39(35)49-47(50-40)52-42-24-23-30(26-38(42)45-32-15-5-4-12-29(32)22-25-43(45)52)37-27-44-46(34-17-7-6-16-33(34)37)36-19-9-11-21-41(36)51(44)31-13-2-1-3-14-31/h2*1-28H;1-27H |
| InChIKey | UCXIWJURHHRLLJ-UHFFFAOYSA-N |
| XLogP | 36.22 |
| TPSA | 152.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 156 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1983.33 |
| LogP ≤ 5 | 36.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
Frequently Asked Questions
What is the IUPAC name of 2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile?
The IUPAC name of 2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile (CID 161057241) is 2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile?
The canonical SMILES for 2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile is N#Cc1cc(-n2c3ccc(-c4cc5c(c6ccccc46)c4ccccc4n5-c4ccccc4)cc3c3c4ccccc4ccc32)nc2ccccc12.N#Cc1cc(-n2c3ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)cc3c3c4ccccc4ccc32)nc2ccccc12.N#Cc1nc(-n2c3ccc(-c4cc5c(c6ccccc46)c4ccccc4n5-c4ccccc4)cc3c3c4ccccc4ccc32)nc2ccccc12.
What is the InChIKey of 2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile?
The InChIKey is UCXIWJURHHRLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H28N4.C47H27N5/c49-29-34-28-46(50-41-17-9-8-14-36(34)41)52-43-23-21-33(27-40(43)48-38-16-7-5-11-31(38)19-25-45(48)52)32-20-22-42-39(26-32)47-37-15-6-4-10-30(37)18-24-44(47)51(42)35-12-2-1-3-13-35;49-29-32-27-46(50-41-20-10-8-15-34(32)41)52-43-24-23-31(26-40(43)47-35-16-5-4-12-30(35)22-25-44(47)52)39-28-45-48(37-18-7-6-17-36(37)39)38-19-9-11-21-42(38)51(45)33-13-2-1-3-14-33;48-28-40-35-18-8-10-20-39(35)49-47(50-40)52-42-24-23-30(26-38(42)45-32-15-5-4-12-29(32)22-25-43(45)52)37-27-44-46(34-17-7-6-16-33(34)37)36-19-9-11-21-41(36)51(44)31-13-2-1-3-14-31/h2*1-28H;1-27H.
What are the key properties of 2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile?
2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile has a molecular weight of 1983.33 g/mol, XLogP of 36.22, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile is sourced from PubChem (CID 161057241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 161057241 — identifiers, structure, computed properties (public domain)
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