3-(2-methylacridin-3-yl)acridine-2-carbaldehyde

C28H18N2O — CID 58719315

IUPAC3-(2-methylacridin-3-yl)acridine-2-carbaldehyde
SMILESCc1cc2cc3ccccc3nc2cc1-c1cc2nc3ccccc3cc2cc1C=O
InChIInChI=1S/C28H18N2O/c1-17-10-20-11-18-6-2-4-8-25(18)29-27(20)14-23(17)24-15-28-21(13-22(24)16-31)12-19-7-3-5-9-26(19)30-28/h2-16H,1H3
InChIKeyZJGJAPMYSBSJDO-UHFFFAOYSA-N
MW398.47 g/mol
LogP6.88
Rot. Bonds2

About 3-(2-methylacridin-3-yl)acridine-2-carbaldehyde

3-(2-methylacridin-3-yl)acridine-2-carbaldehyde (PubChem CID 58719315) has the molecular formula C28H18N2O and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-(2-methylacridin-3-yl)acridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(2-methylacridin-3-yl)acridine-2-carbaldehyde
PubChem CID58719315
Molecular FormulaC28H18N2O
Molecular Weight398.47 g/mol
Exact Mass398.14
IUPAC Name3-(2-methylacridin-3-yl)acridine-2-carbaldehyde
SMILESCc1cc2cc3ccccc3nc2cc1-c1cc2nc3ccccc3cc2cc1C=O
InChIInChI=1S/C28H18N2O/c1-17-10-20-11-18-6-2-4-8-25(18)29-27(20)14-23(17)24-15-28-21(13-22(24)16-31)12-19-7-3-5-9-26(19)30-28/h2-16H,1H3
InChIKeyZJGJAPMYSBSJDO-UHFFFAOYSA-N
XLogP6.88
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylacridin-3-yl)acridine-2-carbaldehyde?
The IUPAC name of 3-(2-methylacridin-3-yl)acridine-2-carbaldehyde (CID 58719315) is 3-(2-methylacridin-3-yl)acridine-2-carbaldehyde.
What is the SMILES notation for 3-(2-methylacridin-3-yl)acridine-2-carbaldehyde?
The canonical SMILES for 3-(2-methylacridin-3-yl)acridine-2-carbaldehyde is Cc1cc2cc3ccccc3nc2cc1-c1cc2nc3ccccc3cc2cc1C=O.
What is the InChIKey of 3-(2-methylacridin-3-yl)acridine-2-carbaldehyde?
The InChIKey is ZJGJAPMYSBSJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2O/c1-17-10-20-11-18-6-2-4-8-25(18)29-27(20)14-23(17)24-15-28-21(13-22(24)16-31)12-19-7-3-5-9-26(19)30-28/h2-16H,1H3.
What are the key properties of 3-(2-methylacridin-3-yl)acridine-2-carbaldehyde?
3-(2-methylacridin-3-yl)acridine-2-carbaldehyde has a molecular weight of 398.47 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylacridin-3-yl)acridine-2-carbaldehyde is sourced from PubChem (CID 58719315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).