3-(2-methylpropyl)-6-propylimidazo[1,2-f]phenanthridine

C22H24N2 — CID 58163227

IUPAC3-(2-methylpropyl)-6-propylimidazo[1,2-f]phenanthridine
SMILESCCCc1ccc2c3ccccc3c3ncc(CC(C)C)n3c2c1
InChIInChI=1S/C22H24N2/c1-4-7-16-10-11-19-18-8-5-6-9-20(18)22-23-14-17(12-15(2)3)24(22)21(19)13-16/h5-6,8-11,13-15H,4,7,12H2,1-3H3
InChIKeyPNOPTKVBAYJDCC-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.79
Rot. Bonds4

About 3-(2-methylpropyl)-6-propylimidazo[1,2-f]phenanthridine

3-(2-methylpropyl)-6-propylimidazo[1,2-f]phenanthridine (PubChem CID 58163227) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-(2-methylpropyl)-6-propylimidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3-(2-methylpropyl)-6-propylimidazo[1,2-f]phenanthridine
PubChem CID58163227
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name3-(2-methylpropyl)-6-propylimidazo[1,2-f]phenanthridine
SMILESCCCc1ccc2c3ccccc3c3ncc(CC(C)C)n3c2c1
InChIInChI=1S/C22H24N2/c1-4-7-16-10-11-19-18-8-5-6-9-20(18)22-23-14-17(12-15(2)3)24(22)21(19)13-16/h5-6,8-11,13-15H,4,7,12H2,1-3H3
InChIKeyPNOPTKVBAYJDCC-UHFFFAOYSA-N
XLogP5.79
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.79
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

3,7-bis(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine
CID 58163115
3-[2,6-bis(2-methylpropyl)phenyl]imidazo[1,2-f]phenanthridine;3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 160802426
2-methyl-11-propyltriphenylene
CID 163874505
10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 59358314
4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline
CID 163570430
2-[1-methyl-3-(2-methylpropyl)indazol-6-yl]ethanamine
CID 105490219
2-ethyl-9-methylcarbazole
CID 71038255
3-[2-(2-deuterio-2-methylpropyl)-6-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]imidazo[1,2-f]phenanthridine
CID 157249771
23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene
CID 170187674
3-propylphenanthro[9,10-c]pyridine
CID 71733890
5-methyl-2-(2-methylpropyl)pyrimido[5,4-b]indole
CID 67988435
3-[2,6-di(propan-2-yl)phenyl]-2,5,16,19-tetrazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
CID 140948571

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-6-propylimidazo[1,2-f]phenanthridine?
The IUPAC name of 3-(2-methylpropyl)-6-propylimidazo[1,2-f]phenanthridine (CID 58163227) is 3-(2-methylpropyl)-6-propylimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-(2-methylpropyl)-6-propylimidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-(2-methylpropyl)-6-propylimidazo[1,2-f]phenanthridine is CCCc1ccc2c3ccccc3c3ncc(CC(C)C)n3c2c1.
What is the InChIKey of 3-(2-methylpropyl)-6-propylimidazo[1,2-f]phenanthridine?
The InChIKey is PNOPTKVBAYJDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-4-7-16-10-11-19-18-8-5-6-9-20(18)22-23-14-17(12-15(2)3)24(22)21(19)13-16/h5-6,8-11,13-15H,4,7,12H2,1-3H3.
What are the key properties of 3-(2-methylpropyl)-6-propylimidazo[1,2-f]phenanthridine?
3-(2-methylpropyl)-6-propylimidazo[1,2-f]phenanthridine has a molecular weight of 316.45 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-6-propylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 58163227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).