2-aminonaphthalene-1,4-dione;perylene

C30H19NO2 — CID 160852881

IUPAC2-aminonaphthalene-1,4-dione;perylene
SMILESNC1=CC(=O)c2ccccc2C1=O.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C10H7NO2/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-12H;1-5H,11H2
InChIKeySJMJVYWUVRBHPF-UHFFFAOYSA-N
MW425.49 g/mol
LogP6.65
Rot. Bonds

About 2-aminonaphthalene-1,4-dione;perylene

2-aminonaphthalene-1,4-dione;perylene (PubChem CID 160852881) has the molecular formula C30H19NO2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-aminonaphthalene-1,4-dione;perylene.

Molecular Properties

Compound Name2-aminonaphthalene-1,4-dione;perylene
PubChem CID160852881
Molecular FormulaC30H19NO2
Molecular Weight425.49 g/mol
Exact Mass425.14
IUPAC Name2-aminonaphthalene-1,4-dione;perylene
SMILESNC1=CC(=O)c2ccccc2C1=O.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C10H7NO2/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-12H;1-5H,11H2
InChIKeySJMJVYWUVRBHPF-UHFFFAOYSA-N
XLogP6.65
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', '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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Frequently Asked Questions

What is the IUPAC name of 2-aminonaphthalene-1,4-dione;perylene?
The IUPAC name of 2-aminonaphthalene-1,4-dione;perylene (CID 160852881) is 2-aminonaphthalene-1,4-dione;perylene.
What is the SMILES notation for 2-aminonaphthalene-1,4-dione;perylene?
The canonical SMILES for 2-aminonaphthalene-1,4-dione;perylene is NC1=CC(=O)c2ccccc2C1=O.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.
What is the InChIKey of 2-aminonaphthalene-1,4-dione;perylene?
The InChIKey is SJMJVYWUVRBHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12.C10H7NO2/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-12H;1-5H,11H2.
What are the key properties of 2-aminonaphthalene-1,4-dione;perylene?
2-aminonaphthalene-1,4-dione;perylene has a molecular weight of 425.49 g/mol, XLogP of 6.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminonaphthalene-1,4-dione;perylene is sourced from PubChem (CID 160852881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).