4,10-diiminoperylene-3,9-diamine

C20H14N4 — CID 71358286

IUPAC4,10-diiminoperylene-3,9-diamine
SMILES[H]/N=c1\ccc2c3ccc(N)c4/c(=N/[H])ccc(c5ccc(N)c1c52)c43
InChIInChI=1S/C20H14N4/c21-13-5-1-9-10-2-6-15(23)20-16(24)8-4-12(18(10)20)11-3-7-14(22)19(13)17(9)11/h1-8,21,24H,22-23H2/b21-13+,24-16+
InChIKeyDFCGTDGRTLQFAR-XPQJGMKCSA-N
MW310.36 g/mol
LogP3.30
Rot. Bonds

About 4,10-diiminoperylene-3,9-diamine

4,10-diiminoperylene-3,9-diamine (PubChem CID 71358286) has the molecular formula C20H14N4 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4,10-diiminoperylene-3,9-diamine.

Molecular Properties

Compound Name4,10-diiminoperylene-3,9-diamine
PubChem CID71358286
Molecular FormulaC20H14N4
Molecular Weight310.36 g/mol
Exact Mass310.12
IUPAC Name4,10-diiminoperylene-3,9-diamine
SMILES[H]/N=c1\ccc2c3ccc(N)c4/c(=N/[H])ccc(c5ccc(N)c1c52)c43
InChIInChI=1S/C20H14N4/c21-13-5-1-9-10-2-6-15(23)20-16(24)8-4-12(18(10)20)11-3-7-14(22)19(13)17(9)11/h1-8,21,24H,22-23H2/b21-13+,24-16+
InChIKeyDFCGTDGRTLQFAR-XPQJGMKCSA-N
XLogP3.30
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 4,10-diiminoperylene-3,9-diamine?
The IUPAC name of 4,10-diiminoperylene-3,9-diamine (CID 71358286) is 4,10-diiminoperylene-3,9-diamine.
What is the SMILES notation for 4,10-diiminoperylene-3,9-diamine?
The canonical SMILES for 4,10-diiminoperylene-3,9-diamine is [H]/N=c1\ccc2c3ccc(N)c4/c(=N/[H])ccc(c5ccc(N)c1c52)c43.
What is the InChIKey of 4,10-diiminoperylene-3,9-diamine?
The InChIKey is DFCGTDGRTLQFAR-XPQJGMKCSA-N. The full InChI is InChI=1S/C20H14N4/c21-13-5-1-9-10-2-6-15(23)20-16(24)8-4-12(18(10)20)11-3-7-14(22)19(13)17(9)11/h1-8,21,24H,22-23H2/b21-13+,24-16+.
What are the key properties of 4,10-diiminoperylene-3,9-diamine?
4,10-diiminoperylene-3,9-diamine has a molecular weight of 310.36 g/mol, XLogP of 3.30, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-diiminoperylene-3,9-diamine is sourced from PubChem (CID 71358286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).