11-(1,3-benzodioxol-5-yl)benzo[c]phenanthridin-6-amine

C24H16N2O2 — CID 11282700

IUPAC11-(1,3-benzodioxol-5-yl)benzo[c]phenanthridin-6-amine
SMILESNc1nc2c3ccccc3cc(-c3ccc4c(c3)OCO4)c2c2ccccc12
InChIInChI=1S/C24H16N2O2/c25-24-18-8-4-3-7-17(18)22-19(15-9-10-20-21(12-15)28-13-27-20)11-14-5-1-2-6-16(14)23(22)26-24/h1-12H,13H2,(H2,25,26)
InChIKeyLUSTYACTOMXVLE-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.52
Rot. Bonds1

About 11-(1,3-benzodioxol-5-yl)benzo[c]phenanthridin-6-amine

11-(1,3-benzodioxol-5-yl)benzo[c]phenanthridin-6-amine (PubChem CID 11282700) has the molecular formula C24H16N2O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 11-(1,3-benzodioxol-5-yl)benzo[c]phenanthridin-6-amine.

Molecular Properties

Compound Name11-(1,3-benzodioxol-5-yl)benzo[c]phenanthridin-6-amine
PubChem CID11282700
Molecular FormulaC24H16N2O2
Molecular Weight364.40 g/mol
Exact Mass364.12
IUPAC Name11-(1,3-benzodioxol-5-yl)benzo[c]phenanthridin-6-amine
SMILESNc1nc2c3ccccc3cc(-c3ccc4c(c3)OCO4)c2c2ccccc12
InChIInChI=1S/C24H16N2O2/c25-24-18-8-4-3-7-17(18)22-19(15-9-10-20-21(12-15)28-13-27-20)11-14-5-1-2-6-16(14)23(22)26-24/h1-12H,13H2,(H2,25,26)
InChIKeyLUSTYACTOMXVLE-UHFFFAOYSA-N
XLogP5.52
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-(1,3-benzodioxol-5-yl)benzo[c]phenanthridin-6-amine?
The IUPAC name of 11-(1,3-benzodioxol-5-yl)benzo[c]phenanthridin-6-amine (CID 11282700) is 11-(1,3-benzodioxol-5-yl)benzo[c]phenanthridin-6-amine.
What is the SMILES notation for 11-(1,3-benzodioxol-5-yl)benzo[c]phenanthridin-6-amine?
The canonical SMILES for 11-(1,3-benzodioxol-5-yl)benzo[c]phenanthridin-6-amine is Nc1nc2c3ccccc3cc(-c3ccc4c(c3)OCO4)c2c2ccccc12.
What is the InChIKey of 11-(1,3-benzodioxol-5-yl)benzo[c]phenanthridin-6-amine?
The InChIKey is LUSTYACTOMXVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O2/c25-24-18-8-4-3-7-17(18)22-19(15-9-10-20-21(12-15)28-13-27-20)11-14-5-1-2-6-16(14)23(22)26-24/h1-12H,13H2,(H2,25,26).
What are the key properties of 11-(1,3-benzodioxol-5-yl)benzo[c]phenanthridin-6-amine?
11-(1,3-benzodioxol-5-yl)benzo[c]phenanthridin-6-amine has a molecular weight of 364.40 g/mol, XLogP of 5.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1,3-benzodioxol-5-yl)benzo[c]phenanthridin-6-amine is sourced from PubChem (CID 11282700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).