6-(2-methoxyphenyl)benzo[k]phenanthridine

C24H17NO — CID 71732814

IUPAC6-(2-methoxyphenyl)benzo[k]phenanthridine
SMILESCOc1ccccc1-c1nc2ccccc2c2c1ccc1ccccc12
InChIInChI=1S/C24H17NO/c1-26-22-13-7-5-11-19(22)24-20-15-14-16-8-2-3-9-17(16)23(20)18-10-4-6-12-21(18)25-24/h2-15H,1H3
InChIKeyCCASVBAWYPIMKV-UHFFFAOYSA-N
MW335.41 g/mol
LogP6.22
Rot. Bonds2

About 6-(2-methoxyphenyl)benzo[k]phenanthridine

6-(2-methoxyphenyl)benzo[k]phenanthridine (PubChem CID 71732814) has the molecular formula C24H17NO and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)benzo[k]phenanthridine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)benzo[k]phenanthridine
PubChem CID71732814
Molecular FormulaC24H17NO
Molecular Weight335.41 g/mol
Exact Mass335.13
IUPAC Name6-(2-methoxyphenyl)benzo[k]phenanthridine
SMILESCOc1ccccc1-c1nc2ccccc2c2c1ccc1ccccc12
InChIInChI=1S/C24H17NO/c1-26-22-13-7-5-11-19(22)24-20-15-14-16-8-2-3-9-17(16)23(20)18-10-4-6-12-21(18)25-24/h2-15H,1H3
InChIKeyCCASVBAWYPIMKV-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-(2-methoxyphenyl)benzo[k]phenanthridine?
The IUPAC name of 6-(2-methoxyphenyl)benzo[k]phenanthridine (CID 71732814) is 6-(2-methoxyphenyl)benzo[k]phenanthridine.
What is the SMILES notation for 6-(2-methoxyphenyl)benzo[k]phenanthridine?
The canonical SMILES for 6-(2-methoxyphenyl)benzo[k]phenanthridine is COc1ccccc1-c1nc2ccccc2c2c1ccc1ccccc12.
What is the InChIKey of 6-(2-methoxyphenyl)benzo[k]phenanthridine?
The InChIKey is CCASVBAWYPIMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO/c1-26-22-13-7-5-11-19(22)24-20-15-14-16-8-2-3-9-17(16)23(20)18-10-4-6-12-21(18)25-24/h2-15H,1H3.
What are the key properties of 6-(2-methoxyphenyl)benzo[k]phenanthridine?
6-(2-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-(2-methoxyphenyl)benzo[k]phenanthridine is sourced from PubChem (CID 71732814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).