N'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine

C34H34N4 — CID 58572013

IUPACN'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine
SMILESc1ccc2c(CCCCCNCCCNc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1
InChIInChI=1S/C34H34N4/c1(2-13-25-26-14-3-7-18-30(26)37-31-19-8-4-15-27(25)31)11-22-35-23-12-24-36-34-28-16-5-9-20-32(28)38-33-21-10-6-17-29(33)34/h3-10,14-21,35H,1-2,11-13,22-24H2,(H,36,38)
InChIKeyZHLJKHUCUAADSU-UHFFFAOYSA-N
MW498.67 g/mol
LogP7.89
Rot. Bonds11

About N'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine

N'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine (PubChem CID 58572013) has the molecular formula C34H34N4 and a molecular weight of 498.67 g/mol. Its IUPAC name is N'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine
PubChem CID58572013
Molecular FormulaC34H34N4
Molecular Weight498.67 g/mol
Exact Mass498.28
IUPAC NameN'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine
SMILESc1ccc2c(CCCCCNCCCNc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1
InChIInChI=1S/C34H34N4/c1(2-13-25-26-14-3-7-18-30(26)37-31-19-8-4-15-27(25)31)11-22-35-23-12-24-36-34-28-16-5-9-20-32(28)38-33-21-10-6-17-29(33)34/h3-10,14-21,35H,1-2,11-13,22-24H2,(H,36,38)
InChIKeyZHLJKHUCUAADSU-UHFFFAOYSA-N
XLogP7.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 57.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-di(acridin-9-yl)hexadecane-1,16-diamine;dihydrochloride
CID 131881606
9-(8-acridin-9-yloctyl)acridine
CID 10504492
N'-acridin-9-yl-N-benzylpropane-1,3-diamine
CID 175018670
N,N'-bis(2-methylacridin-9-yl)hexane-1,6-diamine
CID 162643745
N'-(4-butoxyacridin-9-yl)-N-[3-[(4-butoxyacridin-9-yl)amino]propyl]butane-1,4-diamine;hydrochloride
CID 54610944
N-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine
CID 44531415
N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine;dihydrochloride
CID 21144905
N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 10761844
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
2-[9-(acridin-9-ylamino)nonyl]isoindole-1,3-dione
CID 10322257
3-[4-(3-aminopropylamino)butylamino]propyl 5-(acridin-9-ylamino)pentanoate
CID 10345062
11-acridin-9-ylundecanoic acid
CID 10737446

Frequently Asked Questions

What is the IUPAC name of N'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine?
The IUPAC name of N'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine (CID 58572013) is N'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine.
What is the SMILES notation for N'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine?
The canonical SMILES for N'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine is c1ccc2c(CCCCCNCCCNc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1.
What is the InChIKey of N'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine?
The InChIKey is ZHLJKHUCUAADSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4/c1(2-13-25-26-14-3-7-18-30(26)37-31-19-8-4-15-27(25)31)11-22-35-23-12-24-36-34-28-16-5-9-20-32(28)38-33-21-10-6-17-29(33)34/h3-10,14-21,35H,1-2,11-13,22-24H2,(H,36,38).
What are the key properties of N'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine?
N'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine has a molecular weight of 498.67 g/mol, XLogP of 7.89, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine is sourced from PubChem (CID 58572013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).