8-fluoro-1-[[7-[[8-fluoro-2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide

C59H34F2N8O5 — CID 177407314

IUPAC8-fluoro-1-[[7-[[8-fluoro-2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide
SMILESO=C1c2cc(/N=N/c3c(O)c(C(=O)Nc4ccccc4)cc4ccc5c6cc(F)ccc6[nH]c5c34)ccc2-c2ccc(/N=N/c3c(O)c(C(=O)Nc4ccccc4)cc4ccc5c6cc(F)ccc6[nH]c5c34)cc21
InChIInChI=1S/C59H34F2N8O5/c60-31-13-21-47-41(25-31)39-17-11-29-23-45(58(73)62-33-7-3-1-4-8-33)56(71)53(49(29)51(39)64-47)68-66-35-15-19-37-38-20-16-36(28-44(38)55(70)43(37)27-35)67-69-54-50-30(12-18-40-42-26-32(61)14-22-48(42)65-52(40)50)24-46(57(54)72)59(74)63-34-9-5-2-6-10-34/h1-28,64-65,71-72H,(H,62,73)(H,63,74)/b68-66+,69-67+
InChIKeyLCZSXZYJKDDJED-WIQPLMEFSA-N
MW972.97 g/mol
LogP15.50
Rot. Bonds8

About 8-fluoro-1-[[7-[[8-fluoro-2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide

8-fluoro-1-[[7-[[8-fluoro-2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide (PubChem CID 177407314) has the molecular formula C59H34F2N8O5 and a molecular weight of 972.97 g/mol. Its IUPAC name is 8-fluoro-1-[[7-[[8-fluoro-2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-1-[[7-[[8-fluoro-2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide
PubChem CID177407314
Molecular FormulaC59H34F2N8O5
Molecular Weight972.97 g/mol
Exact Mass972.26
IUPAC Name8-fluoro-1-[[7-[[8-fluoro-2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide
SMILESO=C1c2cc(/N=N/c3c(O)c(C(=O)Nc4ccccc4)cc4ccc5c6cc(F)ccc6[nH]c5c34)ccc2-c2ccc(/N=N/c3c(O)c(C(=O)Nc4ccccc4)cc4ccc5c6cc(F)ccc6[nH]c5c34)cc21
InChIInChI=1S/C59H34F2N8O5/c60-31-13-21-47-41(25-31)39-17-11-29-23-45(58(73)62-33-7-3-1-4-8-33)56(71)53(49(29)51(39)64-47)68-66-35-15-19-37-38-20-16-36(28-44(38)55(70)43(37)27-35)67-69-54-50-30(12-18-40-42-26-32(61)14-22-48(42)65-52(40)50)24-46(57(54)72)59(74)63-34-9-5-2-6-10-34/h1-28,64-65,71-72H,(H,62,73)(H,63,74)/b68-66+,69-67+
InChIKeyLCZSXZYJKDDJED-WIQPLMEFSA-N
XLogP15.50
TPSA196.75 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500972.97
LogP ≤ 515.50
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 8-fluoro-1-[[7-[[8-fluoro-2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide?
The IUPAC name of 8-fluoro-1-[[7-[[8-fluoro-2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide (CID 177407314) is 8-fluoro-1-[[7-[[8-fluoro-2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide.
What is the SMILES notation for 8-fluoro-1-[[7-[[8-fluoro-2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide?
The canonical SMILES for 8-fluoro-1-[[7-[[8-fluoro-2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide is O=C1c2cc(/N=N/c3c(O)c(C(=O)Nc4ccccc4)cc4ccc5c6cc(F)ccc6[nH]c5c34)ccc2-c2ccc(/N=N/c3c(O)c(C(=O)Nc4ccccc4)cc4ccc5c6cc(F)ccc6[nH]c5c34)cc21.
What is the InChIKey of 8-fluoro-1-[[7-[[8-fluoro-2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide?
The InChIKey is LCZSXZYJKDDJED-WIQPLMEFSA-N. The full InChI is InChI=1S/C59H34F2N8O5/c60-31-13-21-47-41(25-31)39-17-11-29-23-45(58(73)62-33-7-3-1-4-8-33)56(71)53(49(29)51(39)64-47)68-66-35-15-19-37-38-20-16-36(28-44(38)55(70)43(37)27-35)67-69-54-50-30(12-18-40-42-26-32(61)14-22-48(42)65-52(40)50)24-46(57(54)72)59(74)63-34-9-5-2-6-10-34/h1-28,64-65,71-72H,(H,62,73)(H,63,74)/b68-66+,69-67+.
What are the key properties of 8-fluoro-1-[[7-[[8-fluoro-2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide?
8-fluoro-1-[[7-[[8-fluoro-2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide has a molecular weight of 972.97 g/mol, XLogP of 15.50, 8 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-[[7-[[8-fluoro-2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 177407314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).