N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide

C29H15NO5 — CID 3343697

IUPACN-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
SMILESO=C1c2ccccc2C(=O)c2c(NC(=O)c3cccc4c3C(=O)c3ccccc3C4=O)cccc21
InChIInChI=1S/C29H15NO5/c31-25-15-7-1-3-9-17(15)27(33)23-19(25)11-5-13-21(23)29(35)30-22-14-6-12-20-24(22)28(34)18-10-4-2-8-16(18)26(20)32/h1-14H,(H,30,35)
InChIKeyDVAODZZIWVTFRE-UHFFFAOYSA-N
MW457.44 g/mol
LogP4.49
Rot. Bonds2

About N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide

N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide (PubChem CID 3343697) has the molecular formula C29H15NO5 and a molecular weight of 457.44 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
PubChem CID3343697
Molecular FormulaC29H15NO5
Molecular Weight457.44 g/mol
Exact Mass457.10
IUPAC NameN-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
SMILESO=C1c2ccccc2C(=O)c2c(NC(=O)c3cccc4c3C(=O)c3ccccc3C4=O)cccc21
InChIInChI=1S/C29H15NO5/c31-25-15-7-1-3-9-17(15)27(33)23-19(25)11-5-13-21(23)29(35)30-22-14-6-12-20-24(22)28(34)18-10-4-2-8-16(18)26(20)32/h1-14H,(H,30,35)
InChIKeyDVAODZZIWVTFRE-UHFFFAOYSA-N
XLogP4.49
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(9,10-dioxoanthracen-1-yl)naphthalene-1-carboxamide
CID 70539193
N-methyl-9,10-dioxoanthracene-1-carboxamide
CID 71365214
N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide
CID 2839734
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
methyl 4-[(9,10-dioxoanthracen-1-yl)carbamoyl]benzoate
CID 4138390
2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 24884684
5-bromo-N-(9,10-dioxoanthracen-1-yl)thiophene-2-carboxamide
CID 4694440
(9,10-dioxoanthracen-1-yl)thiourea
CID 82030669
9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide
CID 11696276
N-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide
CID 11558929
N'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide
CID 13439298
N-(9,10-dioxoanthracen-1-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 3276435

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide?
The IUPAC name of N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide (CID 3343697) is N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide?
The canonical SMILES for N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide is O=C1c2ccccc2C(=O)c2c(NC(=O)c3cccc4c3C(=O)c3ccccc3C4=O)cccc21.
What is the InChIKey of N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide?
The InChIKey is DVAODZZIWVTFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H15NO5/c31-25-15-7-1-3-9-17(15)27(33)23-19(25)11-5-13-21(23)29(35)30-22-14-6-12-20-24(22)28(34)18-10-4-2-8-16(18)26(20)32/h1-14H,(H,30,35).
What are the key properties of N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide?
N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide has a molecular weight of 457.44 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide is sourced from PubChem (CID 3343697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).