7-(3-benzo[c]acridin-7-ylpropyl)benzo[c]acridine

C37H26N2 — CID 135144346

IUPAC7-(3-benzo[c]acridin-7-ylpropyl)benzo[c]acridine
SMILESc1ccc2c(c1)ccc1c(CCCc3c4ccccc4nc4c3ccc3ccccc34)c3ccccc3nc12
InChIInChI=1S/C37H26N2/c1-3-12-26-24(10-1)20-22-32-28(30-14-5-7-18-34(30)38-36(26)32)16-9-17-29-31-15-6-8-19-35(31)39-37-27-13-4-2-11-25(27)21-23-33(29)37/h1-8,10-15,18-23H,9,16-17H2
InChIKeyWKAACLNLKZTMHG-UHFFFAOYSA-N
MW498.63 g/mol
LogP9.57
Rot. Bonds4

About 7-(3-benzo[c]acridin-7-ylpropyl)benzo[c]acridine

7-(3-benzo[c]acridin-7-ylpropyl)benzo[c]acridine (PubChem CID 135144346) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 7-(3-benzo[c]acridin-7-ylpropyl)benzo[c]acridine.

Molecular Properties

Compound Name7-(3-benzo[c]acridin-7-ylpropyl)benzo[c]acridine
PubChem CID135144346
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name7-(3-benzo[c]acridin-7-ylpropyl)benzo[c]acridine
SMILESc1ccc2c(c1)ccc1c(CCCc3c4ccccc4nc4c3ccc3ccccc34)c3ccccc3nc12
InChIInChI=1S/C37H26N2/c1-3-12-26-24(10-1)20-22-32-28(30-14-5-7-18-34(30)38-36(26)32)16-9-17-29-31-15-6-8-19-35(31)39-37-27-13-4-2-11-25(27)21-23-33(29)37/h1-8,10-15,18-23H,9,16-17H2
InChIKeyWKAACLNLKZTMHG-UHFFFAOYSA-N
XLogP9.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(3-benzo[c]acridin-7-ylpropyl)benzo[c]acridine?
The IUPAC name of 7-(3-benzo[c]acridin-7-ylpropyl)benzo[c]acridine (CID 135144346) is 7-(3-benzo[c]acridin-7-ylpropyl)benzo[c]acridine.
What is the SMILES notation for 7-(3-benzo[c]acridin-7-ylpropyl)benzo[c]acridine?
The canonical SMILES for 7-(3-benzo[c]acridin-7-ylpropyl)benzo[c]acridine is c1ccc2c(c1)ccc1c(CCCc3c4ccccc4nc4c3ccc3ccccc34)c3ccccc3nc12.
What is the InChIKey of 7-(3-benzo[c]acridin-7-ylpropyl)benzo[c]acridine?
The InChIKey is WKAACLNLKZTMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c1-3-12-26-24(10-1)20-22-32-28(30-14-5-7-18-34(30)38-36(26)32)16-9-17-29-31-15-6-8-19-35(31)39-37-27-13-4-2-11-25(27)21-23-33(29)37/h1-8,10-15,18-23H,9,16-17H2.
What are the key properties of 7-(3-benzo[c]acridin-7-ylpropyl)benzo[c]acridine?
7-(3-benzo[c]acridin-7-ylpropyl)benzo[c]acridine has a molecular weight of 498.63 g/mol, XLogP of 9.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-benzo[c]acridin-7-ylpropyl)benzo[c]acridine is sourced from PubChem (CID 135144346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).