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

C57H41N7O5 — CID 23397889

IUPAC2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(2-propylphenyl)-11H-benzo[a]carbazole-3-carboxamide
SMILESCCCc1ccccc1NC(=O)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc3c(c2)C(=O)c2cc(/N=N/c4c(O)c(C(=O)Nc5ccccc5C)cc5ccccc45)ccc2-3)c1O
InChIInChI=1S/C57H41N7O5/c1-3-12-32-14-6-10-19-47(32)60-57(69)45-28-34-21-24-41-40-17-8-11-20-48(40)58-50(41)49(34)52(55(45)67)64-62-36-23-26-39-38-25-22-35(29-42(38)53(65)43(39)30-36)61-63-51-37-16-7-5-15-33(37)27-44(54(51)66)56(68)59-46-18-9-4-13-31(46)2/h4-11,13-30,58,66-67H,3,12H2,1-2H3,(H,59,68)(H,60,69)/b63-61+,64-62+
InChIKeyGAHWAMACOBAWEL-DOTBRBQPSA-N
MW904.00 g/mol
LogP14.85
Rot. Bonds10

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

2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(2-propylphenyl)-11H-benzo[a]carbazole-3-carboxamide (PubChem CID 23397889) has the molecular formula C57H41N7O5 and a molecular weight of 904.00 g/mol. Its IUPAC name is 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(2-propylphenyl)-11H-benzo[a]carbazole-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(2-propylphenyl)-11H-benzo[a]carbazole-3-carboxamide
PubChem CID23397889
Molecular FormulaC57H41N7O5
Molecular Weight904.00 g/mol
Exact Mass903.32
IUPAC Name2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(2-propylphenyl)-11H-benzo[a]carbazole-3-carboxamide
SMILESCCCc1ccccc1NC(=O)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc3c(c2)C(=O)c2cc(/N=N/c4c(O)c(C(=O)Nc5ccccc5C)cc5ccccc45)ccc2-3)c1O
InChIInChI=1S/C57H41N7O5/c1-3-12-32-14-6-10-19-47(32)60-57(69)45-28-34-21-24-41-40-17-8-11-20-48(40)58-50(41)49(34)52(55(45)67)64-62-36-23-26-39-38-25-22-35(29-42(38)53(65)43(39)30-36)61-63-51-37-16-7-5-15-33(37)27-44(54(51)66)56(68)59-46-18-9-4-13-31(46)2/h4-11,13-30,58,66-67H,3,12H2,1-2H3,(H,59,68)(H,60,69)/b63-61+,64-62+
InChIKeyGAHWAMACOBAWEL-DOTBRBQPSA-N
XLogP14.85
TPSA180.96 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.00
LogP ≤ 514.85
H-Bond Donors ≤ 55
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]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(2-propylphenyl)-11H-benzo[a]carbazole-3-carboxamide?
The IUPAC name of 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(2-propylphenyl)-11H-benzo[a]carbazole-3-carboxamide (CID 23397889) is 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(2-propylphenyl)-11H-benzo[a]carbazole-3-carboxamide.
What is the SMILES notation for 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(2-propylphenyl)-11H-benzo[a]carbazole-3-carboxamide?
The canonical SMILES for 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(2-propylphenyl)-11H-benzo[a]carbazole-3-carboxamide is CCCc1ccccc1NC(=O)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc3c(c2)C(=O)c2cc(/N=N/c4c(O)c(C(=O)Nc5ccccc5C)cc5ccccc45)ccc2-3)c1O.
What is the InChIKey of 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(2-propylphenyl)-11H-benzo[a]carbazole-3-carboxamide?
The InChIKey is GAHWAMACOBAWEL-DOTBRBQPSA-N. The full InChI is InChI=1S/C57H41N7O5/c1-3-12-32-14-6-10-19-47(32)60-57(69)45-28-34-21-24-41-40-17-8-11-20-48(40)58-50(41)49(34)52(55(45)67)64-62-36-23-26-39-38-25-22-35(29-42(38)53(65)43(39)30-36)61-63-51-37-16-7-5-15-33(37)27-44(54(51)66)56(68)59-46-18-9-4-13-31(46)2/h4-11,13-30,58,66-67H,3,12H2,1-2H3,(H,59,68)(H,60,69)/b63-61+,64-62+.
What are the key properties of 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(2-propylphenyl)-11H-benzo[a]carbazole-3-carboxamide?
2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(2-propylphenyl)-11H-benzo[a]carbazole-3-carboxamide has a molecular weight of 904.00 g/mol, XLogP of 14.85, 10 rotatable bonds, 5 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]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-(2-propylphenyl)-11H-benzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 23397889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).