6-amino-11-anilinotetracene-5,12-dione

C24H16N2O2 — CID 15531332

IUPAC6-amino-11-anilinotetracene-5,12-dione
SMILESNc1c2c(c(Nc3ccccc3)c3ccccc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H16N2O2/c25-21-15-10-4-5-11-16(15)22(26-14-8-2-1-3-9-14)20-19(21)23(27)17-12-6-7-13-18(17)24(20)28/h1-13,26H,25H2
InChIKeyNHCATDKHRFIAFL-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.94
Rot. Bonds2

About 6-amino-11-anilinotetracene-5,12-dione

6-amino-11-anilinotetracene-5,12-dione (PubChem CID 15531332) has the molecular formula C24H16N2O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 6-amino-11-anilinotetracene-5,12-dione.

Molecular Properties

Compound Name6-amino-11-anilinotetracene-5,12-dione
PubChem CID15531332
Molecular FormulaC24H16N2O2
Molecular Weight364.40 g/mol
Exact Mass364.12
IUPAC Name6-amino-11-anilinotetracene-5,12-dione
SMILESNc1c2c(c(Nc3ccccc3)c3ccccc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H16N2O2/c25-21-15-10-4-5-11-16(15)22(26-14-8-2-1-3-9-14)20-19(21)23(27)17-12-6-7-13-18(17)24(20)28/h1-13,26H,25H2
InChIKeyNHCATDKHRFIAFL-UHFFFAOYSA-N
XLogP4.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-11-anilinotetracene-5,12-dione?
The IUPAC name of 6-amino-11-anilinotetracene-5,12-dione (CID 15531332) is 6-amino-11-anilinotetracene-5,12-dione.
What is the SMILES notation for 6-amino-11-anilinotetracene-5,12-dione?
The canonical SMILES for 6-amino-11-anilinotetracene-5,12-dione is Nc1c2c(c(Nc3ccccc3)c3ccccc13)C(=O)c1ccccc1C2=O.
What is the InChIKey of 6-amino-11-anilinotetracene-5,12-dione?
The InChIKey is NHCATDKHRFIAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O2/c25-21-15-10-4-5-11-16(15)22(26-14-8-2-1-3-9-14)20-19(21)23(27)17-12-6-7-13-18(17)24(20)28/h1-13,26H,25H2.
What are the key properties of 6-amino-11-anilinotetracene-5,12-dione?
6-amino-11-anilinotetracene-5,12-dione has a molecular weight of 364.40 g/mol, XLogP of 4.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-11-anilinotetracene-5,12-dione is sourced from PubChem (CID 15531332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).