N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide

C29H15NO5 — CID 122363971

IUPACN-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C29H15NO5/c31-25-17-5-1-3-7-19(17)27(33)23-13-15(9-11-21(23)25)29(35)30-16-10-12-22-24(14-16)28(34)20-8-4-2-6-18(20)26(22)32/h1-14H,(H,30,35)
InChIKeyDWPAMNSMRVIFTE-UHFFFAOYSA-N
MW457.44 g/mol
LogP4.49
Rot. Bonds2

About N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide

N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide (PubChem CID 122363971) has the molecular formula C29H15NO5 and a molecular weight of 457.44 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide
PubChem CID122363971
Molecular FormulaC29H15NO5
Molecular Weight457.44 g/mol
Exact Mass457.10
IUPAC NameN-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C29H15NO5/c31-25-17-5-1-3-7-19(17)27(33)23-13-15(9-11-21(23)25)29(35)30-16-10-12-22-24(14-16)28(34)20-8-4-2-6-18(20)26(22)32/h1-14H,(H,30,35)
InChIKeyDWPAMNSMRVIFTE-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-[(9,10-dioxoanthracene-2-carbonyl)amino]benzoic acid
CID 155606415
N-(4-chlorophenyl)-9-oxofluorene-2-carboxamide
CID 42064363
N-(3-methylphenyl)-9-oxofluorene-2-carboxamide
CID 42064187
N-(9,10-dioxoanthracen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2892787
N-(9,10-dioxoanthracen-2-yl)-4-nitrobenzamide
CID 3422751
N-(3-cyanophenyl)-9-oxofluorene-2-carboxamide
CID 42091649
N-(9,10-dioxoanthracen-2-yl)acetamide;ethane
CID 143974024
1-(9,10-dioxoanthracen-2-yl)-3-phenylurea
CID 14250673
9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide
CID 102007965
N-(2-fluorophenyl)-9-oxofluorene-2-carboxamide
CID 42064694
4-nitro-N-[6-[(4-nitrobenzoyl)amino]-9,10-dioxoanthracen-2-yl]benzamide
CID 5207304
N-[4-[[4-hydroxy-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-9,10-dioxoanthracene-2-carboxamide
CID 146542595

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide?
The IUPAC name of N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide (CID 122363971) is N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide?
The canonical SMILES for N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide is O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide?
The InChIKey is DWPAMNSMRVIFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H15NO5/c31-25-17-5-1-3-7-19(17)27(33)23-13-15(9-11-21(23)25)29(35)30-16-10-12-22-24(14-16)28(34)20-8-4-2-6-18(20)26(22)32/h1-14H,(H,30,35).
What are the key properties of N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide?
N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-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-2-yl)-9,10-dioxoanthracene-2-carboxamide is sourced from PubChem (CID 122363971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).