9-[6-[6-(6-acridin-9-yl-2-pyridinyl)pyrimidin-4-yl]-2-pyridinyl]acridine

C40H24N6 — CID 59726879

IUPAC9-[6-[6-(6-acridin-9-yl-2-pyridinyl)pyrimidin-4-yl]-2-pyridinyl]acridine
SMILESc1cc(-c2cc(-c3cccc(-c4c5ccccc5nc5ccccc45)n3)ncn2)nc(-c2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C40H24N6/c1-5-15-29-25(11-1)39(26-12-2-6-16-30(26)43-29)35-21-9-19-33(45-35)37-23-38(42-24-41-37)34-20-10-22-36(46-34)40-27-13-3-7-17-31(27)44-32-18-8-4-14-28(32)40/h1-24H
InChIKeyMWIYEAQCOBYPCE-UHFFFAOYSA-N
MW588.67 g/mol
LogP9.34
Rot. Bonds4

About 9-[6-[6-(6-acridin-9-yl-2-pyridinyl)pyrimidin-4-yl]-2-pyridinyl]acridine

9-[6-[6-(6-acridin-9-yl-2-pyridinyl)pyrimidin-4-yl]-2-pyridinyl]acridine (PubChem CID 59726879) has the molecular formula C40H24N6 and a molecular weight of 588.67 g/mol. Its IUPAC name is 9-[6-[6-(6-acridin-9-yl-2-pyridinyl)pyrimidin-4-yl]-2-pyridinyl]acridine.

Molecular Properties

Compound Name9-[6-[6-(6-acridin-9-yl-2-pyridinyl)pyrimidin-4-yl]-2-pyridinyl]acridine
PubChem CID59726879
Molecular FormulaC40H24N6
Molecular Weight588.67 g/mol
Exact Mass588.21
IUPAC Name9-[6-[6-(6-acridin-9-yl-2-pyridinyl)pyrimidin-4-yl]-2-pyridinyl]acridine
SMILESc1cc(-c2cc(-c3cccc(-c4c5ccccc5nc5ccccc45)n3)ncn2)nc(-c2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C40H24N6/c1-5-15-29-25(11-1)39(26-12-2-6-16-30(26)43-29)35-21-9-19-33(45-35)37-23-38(42-24-41-37)34-20-10-22-36(46-34)40-27-13-3-7-17-31(27)44-32-18-8-4-14-28(32)40/h1-24H
InChIKeyMWIYEAQCOBYPCE-UHFFFAOYSA-N
XLogP9.34
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
4-Phenylquinazoline
CID 262952
{4-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-cyclohexyl}-quinazolin-4-yl-amine
CID 10740593
N-benzyl-2-pyridin-2-ylquinazolin-4-amine
CID 936435
Phenethyl-(2-pyridin-2-yl-quinazolin-4-yl)-amine
CID 937982
4-(4-Methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline
CID 820817
4-(2-(1-Benzylpiperidin-4-yl)ethyl)quinazoline
CID 10404467
N-(6-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}hexyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644778
N-(7-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}heptyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644779
N-(8-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}octyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644780

Frequently Asked Questions

What is the IUPAC name of 9-[6-[6-(6-acridin-9-yl-2-pyridinyl)pyrimidin-4-yl]-2-pyridinyl]acridine?
The IUPAC name of 9-[6-[6-(6-acridin-9-yl-2-pyridinyl)pyrimidin-4-yl]-2-pyridinyl]acridine (CID 59726879) is 9-[6-[6-(6-acridin-9-yl-2-pyridinyl)pyrimidin-4-yl]-2-pyridinyl]acridine.
What is the SMILES notation for 9-[6-[6-(6-acridin-9-yl-2-pyridinyl)pyrimidin-4-yl]-2-pyridinyl]acridine?
The canonical SMILES for 9-[6-[6-(6-acridin-9-yl-2-pyridinyl)pyrimidin-4-yl]-2-pyridinyl]acridine is c1cc(-c2cc(-c3cccc(-c4c5ccccc5nc5ccccc45)n3)ncn2)nc(-c2c3ccccc3nc3ccccc23)c1.
What is the InChIKey of 9-[6-[6-(6-acridin-9-yl-2-pyridinyl)pyrimidin-4-yl]-2-pyridinyl]acridine?
The InChIKey is MWIYEAQCOBYPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6/c1-5-15-29-25(11-1)39(26-12-2-6-16-30(26)43-29)35-21-9-19-33(45-35)37-23-38(42-24-41-37)34-20-10-22-36(46-34)40-27-13-3-7-17-31(27)44-32-18-8-4-14-28(32)40/h1-24H.
What are the key properties of 9-[6-[6-(6-acridin-9-yl-2-pyridinyl)pyrimidin-4-yl]-2-pyridinyl]acridine?
9-[6-[6-(6-acridin-9-yl-2-pyridinyl)pyrimidin-4-yl]-2-pyridinyl]acridine has a molecular weight of 588.67 g/mol, XLogP of 9.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[6-(6-acridin-9-yl-2-pyridinyl)pyrimidin-4-yl]-2-pyridinyl]acridine is sourced from PubChem (CID 59726879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).