9-(8-acridin-9-yloctyl)acridine

C34H32N2 — CID 10504492

IUPAC9-(8-acridin-9-yloctyl)acridine
SMILESc1ccc2c(CCCCCCCCc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1
InChIInChI=1S/C34H32N2/c1(3-5-15-25-27-17-7-11-21-31(27)35-32-22-12-8-18-28(25)32)2-4-6-16-26-29-19-9-13-23-33(29)36-34-24-14-10-20-30(26)34/h7-14,17-24H,1-6,15-16H2
InChIKeyOQZQPVXWVWYBJB-UHFFFAOYSA-N
MW468.64 g/mol
LogP9.22
Rot. Bonds9

About 9-(8-acridin-9-yloctyl)acridine

9-(8-acridin-9-yloctyl)acridine (PubChem CID 10504492) has the molecular formula C34H32N2 and a molecular weight of 468.64 g/mol. Its IUPAC name is 9-(8-acridin-9-yloctyl)acridine.

Molecular Properties

Compound Name9-(8-acridin-9-yloctyl)acridine
PubChem CID10504492
Molecular FormulaC34H32N2
Molecular Weight468.64 g/mol
Exact Mass468.26
IUPAC Name9-(8-acridin-9-yloctyl)acridine
SMILESc1ccc2c(CCCCCCCCc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1
InChIInChI=1S/C34H32N2/c1(3-5-15-25-27-17-7-11-21-31(27)35-32-22-12-8-18-28(25)32)2-4-6-16-26-29-19-9-13-23-33(29)36-34-24-14-10-20-30(26)34/h7-14,17-24H,1-6,15-16H2
InChIKeyOQZQPVXWVWYBJB-UHFFFAOYSA-N
XLogP9.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-(8-acridin-9-yloctyl)acridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(8-acridin-9-yloctyl)acridine?
The IUPAC name of 9-(8-acridin-9-yloctyl)acridine (CID 10504492) is 9-(8-acridin-9-yloctyl)acridine.
What is the SMILES notation for 9-(8-acridin-9-yloctyl)acridine?
The canonical SMILES for 9-(8-acridin-9-yloctyl)acridine is c1ccc2c(CCCCCCCCc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1.
What is the InChIKey of 9-(8-acridin-9-yloctyl)acridine?
The InChIKey is OQZQPVXWVWYBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2/c1(3-5-15-25-27-17-7-11-21-31(27)35-32-22-12-8-18-28(25)32)2-4-6-16-26-29-19-9-13-23-33(29)36-34-24-14-10-20-30(26)34/h7-14,17-24H,1-6,15-16H2.
What are the key properties of 9-(8-acridin-9-yloctyl)acridine?
9-(8-acridin-9-yloctyl)acridine has a molecular weight of 468.64 g/mol, XLogP of 9.22, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-acridin-9-yloctyl)acridine is sourced from PubChem (CID 10504492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).