2-methoxy-7,8-diphenyl-6-(trifluoromethyl)benzo[k]phenanthridine

C31H20F3NO — CID 25198419

IUPAC2-methoxy-7,8-diphenyl-6-(trifluoromethyl)benzo[k]phenanthridine
SMILESCOc1ccc2nc(C(F)(F)F)c3c(-c4ccccc4)c(-c4ccccc4)c4ccccc4c3c2c1
InChIInChI=1S/C31H20F3NO/c1-36-21-16-17-25-24(18-21)28-23-15-9-8-14-22(23)26(19-10-4-2-5-11-19)27(20-12-6-3-7-13-20)29(28)30(35-25)31(32,33)34/h2-18H,1H3
InChIKeyWLJXGKQQXRLDBO-UHFFFAOYSA-N
MW479.50 g/mol
LogP8.90
Rot. Bonds3

About 2-methoxy-7,8-diphenyl-6-(trifluoromethyl)benzo[k]phenanthridine

2-methoxy-7,8-diphenyl-6-(trifluoromethyl)benzo[k]phenanthridine (PubChem CID 25198419) has the molecular formula C31H20F3NO and a molecular weight of 479.50 g/mol. Its IUPAC name is 2-methoxy-7,8-diphenyl-6-(trifluoromethyl)benzo[k]phenanthridine.

Molecular Properties

Compound Name2-methoxy-7,8-diphenyl-6-(trifluoromethyl)benzo[k]phenanthridine
PubChem CID25198419
Molecular FormulaC31H20F3NO
Molecular Weight479.50 g/mol
Exact Mass479.15
IUPAC Name2-methoxy-7,8-diphenyl-6-(trifluoromethyl)benzo[k]phenanthridine
SMILESCOc1ccc2nc(C(F)(F)F)c3c(-c4ccccc4)c(-c4ccccc4)c4ccccc4c3c2c1
InChIInChI=1S/C31H20F3NO/c1-36-21-16-17-25-24(18-21)28-23-15-9-8-14-22(23)26(19-10-4-2-5-11-19)27(20-12-6-3-7-13-20)29(28)30(35-25)31(32,33)34/h2-18H,1H3
InChIKeyWLJXGKQQXRLDBO-UHFFFAOYSA-N
XLogP8.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.50
LogP ≤ 58.90
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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Related Compounds

7-Methoxytacrine
CID 119053
9-Amino-2-methoxyacridine
CID 18867
Acridine, 9-(p-anisidino)-
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6-Methoxyquinaldine
CID 70648
7-(3-Methoxyphenyl)-2-methylquinoline
CID 44432660
3-Methoxy-5-(2-methylquinolin-7-yl)benzonitrile
CID 44432680
4-[1-(4-Methoxyphenyl)ethenyl]-2-methylquinoline
CID 91971313
1,1,1-trifluoro-N-[5-[(E)-2-(6-methoxy-2-quinolyl)vinyl]-2-naphthyl]methanesulfonamide
CID 6479587
2-[2-(4-Methoxyphenyl)ethyl]quinoline
CID 223220
4,6-Dimethoxy-2-phenylquinoline
CID 826237
7-Methoxytacrine hydrochloride
CID 15300703
2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine
CID 25192491

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7,8-diphenyl-6-(trifluoromethyl)benzo[k]phenanthridine?
The IUPAC name of 2-methoxy-7,8-diphenyl-6-(trifluoromethyl)benzo[k]phenanthridine (CID 25198419) is 2-methoxy-7,8-diphenyl-6-(trifluoromethyl)benzo[k]phenanthridine.
What is the SMILES notation for 2-methoxy-7,8-diphenyl-6-(trifluoromethyl)benzo[k]phenanthridine?
The canonical SMILES for 2-methoxy-7,8-diphenyl-6-(trifluoromethyl)benzo[k]phenanthridine is COc1ccc2nc(C(F)(F)F)c3c(-c4ccccc4)c(-c4ccccc4)c4ccccc4c3c2c1.
What is the InChIKey of 2-methoxy-7,8-diphenyl-6-(trifluoromethyl)benzo[k]phenanthridine?
The InChIKey is WLJXGKQQXRLDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20F3NO/c1-36-21-16-17-25-24(18-21)28-23-15-9-8-14-22(23)26(19-10-4-2-5-11-19)27(20-12-6-3-7-13-20)29(28)30(35-25)31(32,33)34/h2-18H,1H3.
What are the key properties of 2-methoxy-7,8-diphenyl-6-(trifluoromethyl)benzo[k]phenanthridine?
2-methoxy-7,8-diphenyl-6-(trifluoromethyl)benzo[k]phenanthridine has a molecular weight of 479.50 g/mol, XLogP of 8.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7,8-diphenyl-6-(trifluoromethyl)benzo[k]phenanthridine is sourced from PubChem (CID 25198419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).