6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium

C24H18N+ — CID 2281152

IUPAC6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium
SMILESCc1cc(-c2ccccc2)cc2c3ccccc3c3ccccc3[n+]12
InChIInChI=1S/C24H18N/c1-17-15-19(18-9-3-2-4-10-18)16-24-22-13-6-5-11-20(22)21-12-7-8-14-23(21)25(17)24/h2-16H,1H3/q+1
InChIKeyCQGPXCGZQFGTLT-UHFFFAOYSA-N
MW320.42 g/mol
LogP5.71
Rot. Bonds1

About 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium

6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium (PubChem CID 2281152) has the molecular formula C24H18N+ and a molecular weight of 320.42 g/mol. Its IUPAC name is 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium.

Molecular Properties

Compound Name6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium
PubChem CID2281152
Molecular FormulaC24H18N+
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC Name6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium
SMILESCc1cc(-c2ccccc2)cc2c3ccccc3c3ccccc3[n+]12
InChIInChI=1S/C24H18N/c1-17-15-19(18-9-3-2-4-10-18)16-24-22-13-6-5-11-20(22)21-12-7-8-14-23(21)25(17)24/h2-16H,1H3/q+1
InChIKeyCQGPXCGZQFGTLT-UHFFFAOYSA-N
XLogP5.71
TPSA4.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.42
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium perchlorate
CID 2834903
10-methyl-21-phenyl-10,23-diazoniahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8(24),9,11,13,15,17,19(23),20-dodecaene
CID 3346559
ethane;1,3,5-triphenylbenzene
CID 142123051
2,6-dimethyl-4-phenyl-1-propylpyridin-1-ium
CID 15193545
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,3,5-triphenylbenzene
CID 158331433
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
1-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)ethyl]-2,6-dimethyl-4-phenylpyridin-1-ium perchlorate
CID 54607926
2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium
CID 168892681
2-methyl-1,4,6-triphenylpyridin-1-ium
CID 3702073
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium?
The IUPAC name of 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium (CID 2281152) is 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium.
What is the SMILES notation for 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium?
The canonical SMILES for 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium is Cc1cc(-c2ccccc2)cc2c3ccccc3c3ccccc3[n+]12.
What is the InChIKey of 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium?
The InChIKey is CQGPXCGZQFGTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N/c1-17-15-19(18-9-3-2-4-10-18)16-24-22-13-6-5-11-20(22)21-12-7-8-14-23(21)25(17)24/h2-16H,1H3/q+1.
What are the key properties of 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium?
6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium has a molecular weight of 320.42 g/mol, XLogP of 5.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium is sourced from PubChem (CID 2281152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).