About 8-chloro-1-[[7-[[8-chloro-2-methoxy-11-methyl-3-[(N-methylanilino)oxymethyl]benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-methoxy-N,11-dimethyl-N-phenylbenzo[a]carbazole-3-carboxamide
8-chloro-1-[[7-[[8-chloro-2-methoxy-11-methyl-3-[(N-methylanilino)oxymethyl]benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-methoxy-N,11-dimethyl-N-phenylbenzo[a]carbazole-3-carboxamide (PubChem CID 58325597) has the molecular formula C65H48Cl2N8O5
and a molecular weight of 1092.06 g/mol. Its IUPAC name is 8-chloro-1-[[7-[[8-chloro-2-methoxy-11-methyl-3-[(N-methylanilino)oxymethyl]benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-methoxy-N,11-dimethyl-N-phenylbenzo[a]carbazole-3-carboxamide.
Molecular Properties
| Compound Name | 8-chloro-1-[[7-[[8-chloro-2-methoxy-11-methyl-3-[(N-methylanilino)oxymethyl]benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-methoxy-N,11-dimethyl-N-phenylbenzo[a]carbazole-3-carboxamide |
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| PubChem CID | 58325597 |
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| Molecular Formula | C65H48Cl2N8O5 |
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| Molecular Weight | 1092.06 g/mol |
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| Exact Mass | 1090.31 |
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| IUPAC Name | 8-chloro-1-[[7-[[8-chloro-2-methoxy-11-methyl-3-[(N-methylanilino)oxymethyl]benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-methoxy-N,11-dimethyl-N-phenylbenzo[a]carbazole-3-carboxamide |
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| SMILES | COc1c(CON(C)c2ccccc2)cc2ccc3c4cc(Cl)ccc4n(C)c3c2c1/N=N/c1ccc2c(c1)C(=O)c1cc(/N=N/c3c(OC)c(C(=O)N(C)c4ccccc4)cc4ccc5c6cc(Cl)ccc6n(C)c5c34)ccc1-2 |
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| InChI | InChI=1S/C65H48Cl2N8O5/c1-72(43-13-9-7-10-14-43)65(77)53-30-37-18-24-48-50-32-40(67)20-28-55(50)74(3)61(48)57(37)59(64(53)79-6)71-69-42-22-26-46-45-25-21-41(33-51(45)62(76)52(46)34-42)68-70-58-56-36(17-23-47-49-31-39(66)19-27-54(49)73(2)60(47)56)29-38(63(58)78-5)35-80-75(4)44-15-11-8-12-16-44/h7-34H,35H2,1-6H3/b70-68+,71-69+ |
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| InChIKey | URSGFHIGVVZSOP-LHKZJUFUSA-N |
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| XLogP | 17.49 |
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| TPSA | 127.61 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 12 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 80 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1092.06 |
| LogP ≤ 5 | 17.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Analyze 8-chloro-1-[[7-[[8-chloro-2-methoxy-11-methyl-3-[(N-methylanilino)oxymethyl]benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-methoxy-N,11-dimethyl-N-phenylbenzo[a]carbazole-3-carboxamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of 8-chloro-1-[[7-[[8-chloro-2-methoxy-11-methyl-3-[(N-methylanilino)oxymethyl]benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-methoxy-N,11-dimethyl-N-phenylbenzo[a]carbazole-3-carboxamide?
The IUPAC name of 8-chloro-1-[[7-[[8-chloro-2-methoxy-11-methyl-3-[(N-methylanilino)oxymethyl]benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-methoxy-N,11-dimethyl-N-phenylbenzo[a]carbazole-3-carboxamide (CID 58325597) is 8-chloro-1-[[7-[[8-chloro-2-methoxy-11-methyl-3-[(N-methylanilino)oxymethyl]benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-methoxy-N,11-dimethyl-N-phenylbenzo[a]carbazole-3-carboxamide.
What is the SMILES notation for 8-chloro-1-[[7-[[8-chloro-2-methoxy-11-methyl-3-[(N-methylanilino)oxymethyl]benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-methoxy-N,11-dimethyl-N-phenylbenzo[a]carbazole-3-carboxamide?
The canonical SMILES for 8-chloro-1-[[7-[[8-chloro-2-methoxy-11-methyl-3-[(N-methylanilino)oxymethyl]benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-methoxy-N,11-dimethyl-N-phenylbenzo[a]carbazole-3-carboxamide is COc1c(CON(C)c2ccccc2)cc2ccc3c4cc(Cl)ccc4n(C)c3c2c1/N=N/c1ccc2c(c1)C(=O)c1cc(/N=N/c3c(OC)c(C(=O)N(C)c4ccccc4)cc4ccc5c6cc(Cl)ccc6n(C)c5c34)ccc1-2.
What is the InChIKey of 8-chloro-1-[[7-[[8-chloro-2-methoxy-11-methyl-3-[(N-methylanilino)oxymethyl]benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-methoxy-N,11-dimethyl-N-phenylbenzo[a]carbazole-3-carboxamide?
The InChIKey is URSGFHIGVVZSOP-LHKZJUFUSA-N. The full InChI is InChI=1S/C65H48Cl2N8O5/c1-72(43-13-9-7-10-14-43)65(77)53-30-37-18-24-48-50-32-40(67)20-28-55(50)74(3)61(48)57(37)59(64(53)79-6)71-69-42-22-26-46-45-25-21-41(33-51(45)62(76)52(46)34-42)68-70-58-56-36(17-23-47-49-31-39(66)19-27-54(49)73(2)60(47)56)29-38(63(58)78-5)35-80-75(4)44-15-11-8-12-16-44/h7-34H,35H2,1-6H3/b70-68+,71-69+.
What are the key properties of 8-chloro-1-[[7-[[8-chloro-2-methoxy-11-methyl-3-[(N-methylanilino)oxymethyl]benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-methoxy-N,11-dimethyl-N-phenylbenzo[a]carbazole-3-carboxamide?
8-chloro-1-[[7-[[8-chloro-2-methoxy-11-methyl-3-[(N-methylanilino)oxymethyl]benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-methoxy-N,11-dimethyl-N-phenylbenzo[a]carbazole-3-carboxamide has a molecular weight of 1092.06 g/mol, XLogP of 17.49, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-[[7-[[8-chloro-2-methoxy-11-methyl-3-[(N-methylanilino)oxymethyl]benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-methoxy-N,11-dimethyl-N-phenylbenzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 58325597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).