1-(8-acridin-1-ylnaphthalen-1-yl)acridine

C36H22N2 — CID 87209881

IUPAC1-(8-acridin-1-ylnaphthalen-1-yl)acridine
SMILESc1ccc2nc3cccc(-c4cccc5cccc(-c6cccc7nc8ccccc8cc67)c45)c3cc2c1
InChIInChI=1S/C36H22N2/c1-3-17-32-24(9-1)21-30-26(13-7-19-34(30)37-32)28-15-5-11-23-12-6-16-29(36(23)28)27-14-8-20-35-31(27)22-25-10-2-4-18-33(25)38-35/h1-22H
InChIKeyFOFOEORKMWJJKM-UHFFFAOYSA-N
MW482.59 g/mol
LogP9.58
Rot. Bonds2

About 1-(8-acridin-1-ylnaphthalen-1-yl)acridine

1-(8-acridin-1-ylnaphthalen-1-yl)acridine (PubChem CID 87209881) has the molecular formula C36H22N2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 1-(8-acridin-1-ylnaphthalen-1-yl)acridine.

Molecular Properties

Compound Name1-(8-acridin-1-ylnaphthalen-1-yl)acridine
PubChem CID87209881
Molecular FormulaC36H22N2
Molecular Weight482.59 g/mol
Exact Mass482.18
IUPAC Name1-(8-acridin-1-ylnaphthalen-1-yl)acridine
SMILESc1ccc2nc3cccc(-c4cccc5cccc(-c6cccc7nc8ccccc8cc67)c45)c3cc2c1
InChIInChI=1S/C36H22N2/c1-3-17-32-24(9-1)21-30-26(13-7-19-34(30)37-32)28-15-5-11-23-12-6-16-29(36(23)28)27-14-8-20-35-31(27)22-25-10-2-4-18-33(25)38-35/h1-22H
InChIKeyFOFOEORKMWJJKM-UHFFFAOYSA-N
XLogP9.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(8-acridin-1-ylnaphthalen-1-yl)acridine?
The IUPAC name of 1-(8-acridin-1-ylnaphthalen-1-yl)acridine (CID 87209881) is 1-(8-acridin-1-ylnaphthalen-1-yl)acridine.
What is the SMILES notation for 1-(8-acridin-1-ylnaphthalen-1-yl)acridine?
The canonical SMILES for 1-(8-acridin-1-ylnaphthalen-1-yl)acridine is c1ccc2nc3cccc(-c4cccc5cccc(-c6cccc7nc8ccccc8cc67)c45)c3cc2c1.
What is the InChIKey of 1-(8-acridin-1-ylnaphthalen-1-yl)acridine?
The InChIKey is FOFOEORKMWJJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2/c1-3-17-32-24(9-1)21-30-26(13-7-19-34(30)37-32)28-15-5-11-23-12-6-16-29(36(23)28)27-14-8-20-35-31(27)22-25-10-2-4-18-33(25)38-35/h1-22H.
What are the key properties of 1-(8-acridin-1-ylnaphthalen-1-yl)acridine?
1-(8-acridin-1-ylnaphthalen-1-yl)acridine has a molecular weight of 482.59 g/mol, XLogP of 9.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-acridin-1-ylnaphthalen-1-yl)acridine is sourced from PubChem (CID 87209881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).