2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide

C61H40N8O5 — CID 23397881

IUPAC2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
SMILESCc1ccc(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)cc1
InChIInChI=1S/C61H40N8O5/c1-31-15-19-35(20-16-31)62-60(73)46-27-33-17-23-42-40-10-4-7-13-49(40)63-53(42)51(33)55(58(46)71)68-66-36-21-25-38-39-26-22-37(30-45(39)57(70)44(38)29-36)67-69-56-52-34(18-24-43-41-11-5-8-14-50(41)64-54(43)52)28-47(59(56)72)61(74)65-48-12-6-3-9-32(48)2/h3-30,63-64,71-72H,1-2H3,(H,62,73)(H,65,74)/b68-66+,69-67+
InChIKeyZPHMELONBXMPBN-WIQPLMEFSA-N
MW965.04 g/mol
LogP15.84
Rot. Bonds8

About 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(4-methylphenyl)-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-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide (PubChem CID 23397881) has the molecular formula C61H40N8O5 and a molecular weight of 965.04 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-(4-methylphenyl)-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-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
PubChem CID23397881
Molecular FormulaC61H40N8O5
Molecular Weight965.04 g/mol
Exact Mass964.31
IUPAC Name2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
SMILESCc1ccc(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)cc1
InChIInChI=1S/C61H40N8O5/c1-31-15-19-35(20-16-31)62-60(73)46-27-33-17-23-42-40-10-4-7-13-49(40)63-53(42)51(33)55(58(46)71)68-66-36-21-25-38-39-26-22-37(30-45(39)57(70)44(38)29-36)67-69-56-52-34(18-24-43-41-11-5-8-14-50(41)64-54(43)52)28-47(59(56)72)61(74)65-48-12-6-3-9-32(48)2/h3-30,63-64,71-72H,1-2H3,(H,62,73)(H,65,74)/b68-66+,69-67+
InChIKeyZPHMELONBXMPBN-WIQPLMEFSA-N
XLogP15.84
TPSA196.75 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500965.04
LogP ≤ 515.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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-(4-methylphenyl)-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-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide (CID 23397881) is 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide is Cc1ccc(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)cc1.
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-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide?
The InChIKey is ZPHMELONBXMPBN-WIQPLMEFSA-N. The full InChI is InChI=1S/C61H40N8O5/c1-31-15-19-35(20-16-31)62-60(73)46-27-33-17-23-42-40-10-4-7-13-49(40)63-53(42)51(33)55(58(46)71)68-66-36-21-25-38-39-26-22-37(30-45(39)57(70)44(38)29-36)67-69-56-52-34(18-24-43-41-11-5-8-14-50(41)64-54(43)52)28-47(59(56)72)61(74)65-48-12-6-3-9-32(48)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-(4-methylphenyl)-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-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide has a molecular weight of 965.04 g/mol, XLogP of 15.84, 8 rotatable bonds, 6 hydrogen bond donors, and 9 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-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 23397881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).