10-(6-acridin-10-ium-10-ylhexyl)acridin-10-ium diiodide

C32H30I2N2 — CID 71371813

IUPAC10-(6-acridin-10-ium-10-ylhexyl)acridin-10-ium diiodide
SMILES[I-].[I-].c1ccc2c(c1)cc1ccccc1[n+]2CCCCCC[n+]1c2ccccc2cc2ccccc21
InChIInChI=1S/C32H30N2.2HI/c1(11-21-33-29-17-7-3-13-25(29)23-26-14-4-8-18-30(26)33)2-12-22-34-31-19-9-5-15-27(31)24-28-16-6-10-20-32(28)34;;/h3-10,13-20,23-24H,1-2,11-12,21-22H2;2*1H/q+2;;/p-2
InChIKeyHJNNIKKWXZBTDJ-UHFFFAOYSA-L
MW696.41 g/mol
LogP1.14
Rot. Bonds7

About 10-(6-acridin-10-ium-10-ylhexyl)acridin-10-ium diiodide

10-(6-acridin-10-ium-10-ylhexyl)acridin-10-ium diiodide (PubChem CID 71371813) has the molecular formula C32H30I2N2 and a molecular weight of 696.41 g/mol. Its IUPAC name is 10-(6-acridin-10-ium-10-ylhexyl)acridin-10-ium diiodide.

Molecular Properties

Compound Name10-(6-acridin-10-ium-10-ylhexyl)acridin-10-ium diiodide
PubChem CID71371813
Molecular FormulaC32H30I2N2
Molecular Weight696.41 g/mol
Exact Mass696.05
IUPAC Name10-(6-acridin-10-ium-10-ylhexyl)acridin-10-ium diiodide
SMILES[I-].[I-].c1ccc2c(c1)cc1ccccc1[n+]2CCCCCC[n+]1c2ccccc2cc2ccccc21
InChIInChI=1S/C32H30N2.2HI/c1(11-21-33-29-17-7-3-13-25(29)23-26-14-4-8-18-30(26)33)2-12-22-34-31-19-9-5-15-27(31)24-28-16-6-10-20-32(28)34;;/h3-10,13-20,23-24H,1-2,11-12,21-22H2;2*1H/q+2;;/p-2
InChIKeyHJNNIKKWXZBTDJ-UHFFFAOYSA-L
XLogP1.14
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500696.41
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(6-acridin-10-ium-10-ylhexyl)acridin-10-ium diiodide?
The IUPAC name of 10-(6-acridin-10-ium-10-ylhexyl)acridin-10-ium diiodide (CID 71371813) is 10-(6-acridin-10-ium-10-ylhexyl)acridin-10-ium diiodide.
What is the SMILES notation for 10-(6-acridin-10-ium-10-ylhexyl)acridin-10-ium diiodide?
The canonical SMILES for 10-(6-acridin-10-ium-10-ylhexyl)acridin-10-ium diiodide is [I-].[I-].c1ccc2c(c1)cc1ccccc1[n+]2CCCCCC[n+]1c2ccccc2cc2ccccc21.
What is the InChIKey of 10-(6-acridin-10-ium-10-ylhexyl)acridin-10-ium diiodide?
The InChIKey is HJNNIKKWXZBTDJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C32H30N2.2HI/c1(11-21-33-29-17-7-3-13-25(29)23-26-14-4-8-18-30(26)33)2-12-22-34-31-19-9-5-15-27(31)24-28-16-6-10-20-32(28)34;;/h3-10,13-20,23-24H,1-2,11-12,21-22H2;2*1H/q+2;;/p-2.
What are the key properties of 10-(6-acridin-10-ium-10-ylhexyl)acridin-10-ium diiodide?
10-(6-acridin-10-ium-10-ylhexyl)acridin-10-ium diiodide has a molecular weight of 696.41 g/mol, XLogP of 1.14, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-acridin-10-ium-10-ylhexyl)acridin-10-ium diiodide is sourced from PubChem (CID 71371813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).