4,9,10-triformylperylene-3-carboxamide

C24H13NO4 — CID 163566588

IUPAC4,9,10-triformylperylene-3-carboxamide
SMILESNC(=O)c1ccc2c3ccc(C=O)c4c(C=O)ccc(c5ccc(C=O)c1c52)c43
InChIInChI=1S/C24H13NO4/c25-24(29)19-8-7-18-16-5-2-13(10-27)20-12(9-26)1-4-15(22(16)20)17-6-3-14(11-28)21(19)23(17)18/h1-11H,(H2,25,29)
InChIKeyFVSYDQXCQZLWDZ-UHFFFAOYSA-N
MW379.37 g/mol
LogP4.27
Rot. Bonds4

About 4,9,10-triformylperylene-3-carboxamide

4,9,10-triformylperylene-3-carboxamide (PubChem CID 163566588) has the molecular formula C24H13NO4 and a molecular weight of 379.37 g/mol. Its IUPAC name is 4,9,10-triformylperylene-3-carboxamide.

Molecular Properties

Compound Name4,9,10-triformylperylene-3-carboxamide
PubChem CID163566588
Molecular FormulaC24H13NO4
Molecular Weight379.37 g/mol
Exact Mass379.08
IUPAC Name4,9,10-triformylperylene-3-carboxamide
SMILESNC(=O)c1ccc2c3ccc(C=O)c4c(C=O)ccc(c5ccc(C=O)c1c52)c43
InChIInChI=1S/C24H13NO4/c25-24(29)19-8-7-18-16-5-2-13(10-27)20-12(9-26)1-4-15(22(16)20)17-6-3-14(11-28)21(19)23(17)18/h1-11H,(H2,25,29)
InChIKeyFVSYDQXCQZLWDZ-UHFFFAOYSA-N
XLogP4.27
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

ethane;4,5,8-triacetylnaphthalene-1-carbaldehyde
CID 143543036
15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxamide
CID 56634308
9,10-dicarbamoylperylene-3-carbonyl chloride
CID 87937117
2-carbamoyl-5-formylterephthalic acid
CID 89087191
9,10-dicarbamoylperylene-3,4-dicarboxylic acid;1,3-xylene
CID 175255963
1,8-diformylnaphthalene-2-carboxylic acid
CID 87507167
10-formyl-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid
CID 143137573
2-cyano-4-formyl-3-(trifluoromethyl)benzamide
CID 171011932
9-azatricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8,11-hexaene-3,6-dicarboxamide
CID 18628380
7,8-dibromo-9,10-dicarbamoylperylene-3,4-dicarboxylic acid
CID 141032207
2,3-diaminobenzene-1,4-dicarboxamide
CID 142757766
benzene-1,2,3,4-tetracarboxamide
CID 54274025

Frequently Asked Questions

What is the IUPAC name of 4,9,10-triformylperylene-3-carboxamide?
The IUPAC name of 4,9,10-triformylperylene-3-carboxamide (CID 163566588) is 4,9,10-triformylperylene-3-carboxamide.
What is the SMILES notation for 4,9,10-triformylperylene-3-carboxamide?
The canonical SMILES for 4,9,10-triformylperylene-3-carboxamide is NC(=O)c1ccc2c3ccc(C=O)c4c(C=O)ccc(c5ccc(C=O)c1c52)c43.
What is the InChIKey of 4,9,10-triformylperylene-3-carboxamide?
The InChIKey is FVSYDQXCQZLWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13NO4/c25-24(29)19-8-7-18-16-5-2-13(10-27)20-12(9-26)1-4-15(22(16)20)17-6-3-14(11-28)21(19)23(17)18/h1-11H,(H2,25,29).
What are the key properties of 4,9,10-triformylperylene-3-carboxamide?
4,9,10-triformylperylene-3-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,10-triformylperylene-3-carboxamide is sourced from PubChem (CID 163566588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).