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

C60H38N8O5 — CID 23397880

IUPAC2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc3c(c2)C(=O)c2cc(/N=N/c4c(O)c(C(=O)Nc5ccccc5)cc5ccc6c7ccccc7[nH]c6c45)ccc2-3)c1O
InChIInChI=1S/C60H38N8O5/c1-31-11-5-8-16-47(31)64-60(73)46-28-33-20-24-42-40-15-7-10-18-49(40)63-53(42)51(33)55(58(46)71)68-66-36-22-26-38-37-25-21-35(29-43(37)56(69)44(38)30-36)65-67-54-50-32(19-23-41-39-14-6-9-17-48(39)62-52(41)50)27-45(57(54)70)59(72)61-34-12-3-2-4-13-34/h2-30,62-63,70-71H,1H3,(H,61,72)(H,64,73)/b67-65+,68-66+
InChIKeyUMLAUAZMCIPHQJ-QHPKXGADSA-N
MW951.01 g/mol
LogP15.53
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-phenyl-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-phenyl-11H-benzo[a]carbazole-3-carboxamide (PubChem CID 23397880) has the molecular formula C60H38N8O5 and a molecular weight of 951.01 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-phenyl-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-phenyl-11H-benzo[a]carbazole-3-carboxamide
PubChem CID23397880
Molecular FormulaC60H38N8O5
Molecular Weight951.01 g/mol
Exact Mass950.30
IUPAC Name2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc3c(c2)C(=O)c2cc(/N=N/c4c(O)c(C(=O)Nc5ccccc5)cc5ccc6c7ccccc7[nH]c6c45)ccc2-3)c1O
InChIInChI=1S/C60H38N8O5/c1-31-11-5-8-16-47(31)64-60(73)46-28-33-20-24-42-40-15-7-10-18-49(40)63-53(42)51(33)55(58(46)71)68-66-36-22-26-38-37-25-21-35(29-43(37)56(69)44(38)30-36)65-67-54-50-32(19-23-41-39-14-6-9-17-48(39)62-52(41)50)27-45(57(54)70)59(72)61-34-12-3-2-4-13-34/h2-30,62-63,70-71H,1H3,(H,61,72)(H,64,73)/b67-65+,68-66+
InChIKeyUMLAUAZMCIPHQJ-QHPKXGADSA-N
XLogP15.53
TPSA196.75 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500951.01
LogP ≤ 515.53
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-phenyl-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-phenyl-11H-benzo[a]carbazole-3-carboxamide (CID 23397880) is 2-hydroxy-1-[[7-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenyl-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-phenyl-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-phenyl-11H-benzo[a]carbazole-3-carboxamide is Cc1ccccc1NC(=O)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc3c(c2)C(=O)c2cc(/N=N/c4c(O)c(C(=O)Nc5ccccc5)cc5ccc6c7ccccc7[nH]c6c45)ccc2-3)c1O.
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-phenyl-11H-benzo[a]carbazole-3-carboxamide?
The InChIKey is UMLAUAZMCIPHQJ-QHPKXGADSA-N. The full InChI is InChI=1S/C60H38N8O5/c1-31-11-5-8-16-47(31)64-60(73)46-28-33-20-24-42-40-15-7-10-18-49(40)63-53(42)51(33)55(58(46)71)68-66-36-22-26-38-37-25-21-35(29-43(37)56(69)44(38)30-36)65-67-54-50-32(19-23-41-39-14-6-9-17-48(39)62-52(41)50)27-45(57(54)70)59(72)61-34-12-3-2-4-13-34/h2-30,62-63,70-71H,1H3,(H,61,72)(H,64,73)/b67-65+,68-66+.
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-phenyl-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-phenyl-11H-benzo[a]carbazole-3-carboxamide has a molecular weight of 951.01 g/mol, XLogP of 15.53, 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-phenyl-11H-benzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 23397880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).