2-aminopyrene-4,5,9,10-tetracarbaldehyde

C20H11NO4 — CID 174701853

IUPAC2-aminopyrene-4,5,9,10-tetracarbaldehyde
SMILESNc1cc2c(C=O)c(C=O)c3cccc4c(C=O)c(C=O)c(c1)c2c34
InChIInChI=1S/C20H11NO4/c21-10-4-13-17(8-24)15(6-22)11-2-1-3-12-16(7-23)18(9-25)14(5-10)20(13)19(11)12/h1-9H,21H2
InChIKeyFVLPUHXNPLVFCT-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.42
Rot. Bonds4

About 2-aminopyrene-4,5,9,10-tetracarbaldehyde

2-aminopyrene-4,5,9,10-tetracarbaldehyde (PubChem CID 174701853) has the molecular formula C20H11NO4 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-aminopyrene-4,5,9,10-tetracarbaldehyde.

Molecular Properties

Compound Name2-aminopyrene-4,5,9,10-tetracarbaldehyde
PubChem CID174701853
Molecular FormulaC20H11NO4
Molecular Weight329.31 g/mol
Exact Mass329.07
IUPAC Name2-aminopyrene-4,5,9,10-tetracarbaldehyde
SMILESNc1cc2c(C=O)c(C=O)c3cccc4c(C=O)c(C=O)c(c1)c2c34
InChIInChI=1S/C20H11NO4/c21-10-4-13-17(8-24)15(6-22)11-2-1-3-12-16(7-23)18(9-25)14(5-10)20(13)19(11)12/h1-9H,21H2
InChIKeyFVLPUHXNPLVFCT-UHFFFAOYSA-N
XLogP3.42
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

pyrene-1,2,3-tricarbaldehyde
CID 87124347
rubicene-5,12-diamine
CID 15635222
anthracene-9,10-dicarbaldehyde;dihydrochloride
CID 19762841
phenanthrene-1,2,3,4-tetracarbaldehyde
CID 87124454
3-aminonaphthalene-1,5-dithiol
CID 89162273
6-aminophenanthrene-1-carbaldehyde
CID 140767754
anthracene-1,2,3,4-tetracarbaldehyde
CID 87124414
4,10-dichloroanthracene-9-carbaldehyde
CID 13375395
3-amino-5-sulfonaphthalene-1-sulfonate
CID 5143627
3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde
CID 59553034
2,6-dihydroxybenzaldehyde;formaldehyde
CID 158378810
2-amino-7-iodo-1-benzothiophene-3-carbaldehyde
CID 130970896

Frequently Asked Questions

What is the IUPAC name of 2-aminopyrene-4,5,9,10-tetracarbaldehyde?
The IUPAC name of 2-aminopyrene-4,5,9,10-tetracarbaldehyde (CID 174701853) is 2-aminopyrene-4,5,9,10-tetracarbaldehyde.
What is the SMILES notation for 2-aminopyrene-4,5,9,10-tetracarbaldehyde?
The canonical SMILES for 2-aminopyrene-4,5,9,10-tetracarbaldehyde is Nc1cc2c(C=O)c(C=O)c3cccc4c(C=O)c(C=O)c(c1)c2c34.
What is the InChIKey of 2-aminopyrene-4,5,9,10-tetracarbaldehyde?
The InChIKey is FVLPUHXNPLVFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11NO4/c21-10-4-13-17(8-24)15(6-22)11-2-1-3-12-16(7-23)18(9-25)14(5-10)20(13)19(11)12/h1-9H,21H2.
What are the key properties of 2-aminopyrene-4,5,9,10-tetracarbaldehyde?
2-aminopyrene-4,5,9,10-tetracarbaldehyde has a molecular weight of 329.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyrene-4,5,9,10-tetracarbaldehyde is sourced from PubChem (CID 174701853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).