6-(3-methoxyphenyl)benzo[k]phenanthridine

C24H17NO — CID 71732723

IUPAC6-(3-methoxyphenyl)benzo[k]phenanthridine
SMILESCOc1cccc(-c2nc3ccccc3c3c2ccc2ccccc23)c1
InChIInChI=1S/C24H17NO/c1-26-18-9-6-8-17(15-18)24-21-14-13-16-7-2-3-10-19(16)23(21)20-11-4-5-12-22(20)25-24/h2-15H,1H3
InChIKeyTYQPZDJZOKGEBB-UHFFFAOYSA-N
MW335.41 g/mol
LogP6.22
Rot. Bonds2

About 6-(3-methoxyphenyl)benzo[k]phenanthridine

6-(3-methoxyphenyl)benzo[k]phenanthridine (PubChem CID 71732723) has the molecular formula C24H17NO and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)benzo[k]phenanthridine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)benzo[k]phenanthridine
PubChem CID71732723
Molecular FormulaC24H17NO
Molecular Weight335.41 g/mol
Exact Mass335.13
IUPAC Name6-(3-methoxyphenyl)benzo[k]phenanthridine
SMILESCOc1cccc(-c2nc3ccccc3c3c2ccc2ccccc23)c1
InChIInChI=1S/C24H17NO/c1-26-18-9-6-8-17(15-18)24-21-14-13-16-7-2-3-10-19(16)23(21)20-11-4-5-12-22(20)25-24/h2-15H,1H3
InChIKeyTYQPZDJZOKGEBB-UHFFFAOYSA-N
XLogP6.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-(3-methoxyphenyl)benzo[k]phenanthridine?
The IUPAC name of 6-(3-methoxyphenyl)benzo[k]phenanthridine (CID 71732723) is 6-(3-methoxyphenyl)benzo[k]phenanthridine.
What is the SMILES notation for 6-(3-methoxyphenyl)benzo[k]phenanthridine?
The canonical SMILES for 6-(3-methoxyphenyl)benzo[k]phenanthridine is COc1cccc(-c2nc3ccccc3c3c2ccc2ccccc23)c1.
What is the InChIKey of 6-(3-methoxyphenyl)benzo[k]phenanthridine?
The InChIKey is TYQPZDJZOKGEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO/c1-26-18-9-6-8-17(15-18)24-21-14-13-16-7-2-3-10-19(16)23(21)20-11-4-5-12-22(20)25-24/h2-15H,1H3.
What are the key properties of 6-(3-methoxyphenyl)benzo[k]phenanthridine?
6-(3-methoxyphenyl)benzo[k]phenanthridine has a molecular weight of 335.41 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)benzo[k]phenanthridine is sourced from PubChem (CID 71732723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).