2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(3-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide

C61H40N8O6 — CID 23397884

IUPAC2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(3-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3c(/N=N/c3ccc4c(c3)C(=O)c3cc(/N=N/c5c(O)c(C(=O)Nc6ccccc6C)cc6ccc7c8ccccc8[nH]c7c56)ccc3-4)c2O)c1
InChIInChI=1S/C61H40N8O6/c1-31-10-3-6-15-48(31)65-61(74)47-27-33-19-23-43-41-14-5-8-17-50(41)64-54(43)52(33)56(59(47)72)69-67-36-21-25-39-38-24-20-35(29-44(38)57(70)45(39)30-36)66-68-55-51-32(18-22-42-40-13-4-7-16-49(40)63-53(42)51)26-46(58(55)71)60(73)62-34-11-9-12-37(28-34)75-2/h3-30,63-64,71-72H,1-2H3,(H,62,73)(H,65,74)/b68-66+,69-67+
InChIKeyQAHMVVWECDJSNQ-WIQPLMEFSA-N
MW981.04 g/mol
LogP15.54
Rot. Bonds9

About 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(3-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide

2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(3-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide (PubChem CID 23397884) has the molecular formula C61H40N8O6 and a molecular weight of 981.04 g/mol. Its IUPAC name is 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(3-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(3-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide
PubChem CID23397884
Molecular FormulaC61H40N8O6
Molecular Weight981.04 g/mol
Exact Mass980.31
IUPAC Name2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(3-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3c(/N=N/c3ccc4c(c3)C(=O)c3cc(/N=N/c5c(O)c(C(=O)Nc6ccccc6C)cc6ccc7c8ccccc8[nH]c7c56)ccc3-4)c2O)c1
InChIInChI=1S/C61H40N8O6/c1-31-10-3-6-15-48(31)65-61(74)47-27-33-19-23-43-41-14-5-8-17-50(41)64-54(43)52(33)56(59(47)72)69-67-36-21-25-39-38-24-20-35(29-44(38)57(70)45(39)30-36)66-68-55-51-32(18-22-42-40-13-4-7-16-49(40)63-53(42)51)26-46(58(55)71)60(73)62-34-11-9-12-37(28-34)75-2/h3-30,63-64,71-72H,1-2H3,(H,62,73)(H,65,74)/b68-66+,69-67+
InChIKeyQAHMVVWECDJSNQ-WIQPLMEFSA-N
XLogP15.54
TPSA205.98 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500981.04
LogP ≤ 515.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(3-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide?
The IUPAC name of 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(3-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide (CID 23397884) is 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(3-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide.
What is the SMILES notation for 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(3-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide?
The canonical SMILES for 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(3-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide is COc1cccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3c(/N=N/c3ccc4c(c3)C(=O)c3cc(/N=N/c5c(O)c(C(=O)Nc6ccccc6C)cc6ccc7c8ccccc8[nH]c7c56)ccc3-4)c2O)c1.
What is the InChIKey of 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(3-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide?
The InChIKey is QAHMVVWECDJSNQ-WIQPLMEFSA-N. The full InChI is InChI=1S/C61H40N8O6/c1-31-10-3-6-15-48(31)65-61(74)47-27-33-19-23-43-41-14-5-8-17-50(41)64-54(43)52(33)56(59(47)72)69-67-36-21-25-39-38-24-20-35(29-44(38)57(70)45(39)30-36)66-68-55-51-32(18-22-42-40-13-4-7-16-49(40)63-53(42)51)26-46(58(55)71)60(73)62-34-11-9-12-37(28-34)75-2/h3-30,63-64,71-72H,1-2H3,(H,62,73)(H,65,74)/b68-66+,69-67+.
What are the key properties of 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(3-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide?
2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(3-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide has a molecular weight of 981.04 g/mol, XLogP of 15.54, 9 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(3-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 23397884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).