3-(2-ethenyl-6-prop-1-en-2-ylphenyl)imidazo[1,2-f]phenanthridine

C26H20N2 — CID 91114421

IUPAC3-(2-ethenyl-6-prop-1-en-2-ylphenyl)imidazo[1,2-f]phenanthridine
SMILESC=Cc1cccc(C(=C)C)c1-c1cnc2c3ccccc3c3ccccc3n12
InChIInChI=1S/C26H20N2/c1-4-18-10-9-14-19(17(2)3)25(18)24-16-27-26-22-13-6-5-11-20(22)21-12-7-8-15-23(21)28(24)26/h4-16H,1-2H2,3H3
InChIKeySTQJNOZZAKRZLM-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.98
Rot. Bonds3

About 3-(2-ethenyl-6-prop-1-en-2-ylphenyl)imidazo[1,2-f]phenanthridine

3-(2-ethenyl-6-prop-1-en-2-ylphenyl)imidazo[1,2-f]phenanthridine (PubChem CID 91114421) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-(2-ethenyl-6-prop-1-en-2-ylphenyl)imidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3-(2-ethenyl-6-prop-1-en-2-ylphenyl)imidazo[1,2-f]phenanthridine
PubChem CID91114421
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name3-(2-ethenyl-6-prop-1-en-2-ylphenyl)imidazo[1,2-f]phenanthridine
SMILESC=Cc1cccc(C(=C)C)c1-c1cnc2c3ccccc3c3ccccc3n12
InChIInChI=1S/C26H20N2/c1-4-18-10-9-14-19(17(2)3)25(18)24-16-27-26-22-13-6-5-11-20(22)21-12-7-8-15-23(21)28(24)26/h4-16H,1-2H2,3H3
InChIKeySTQJNOZZAKRZLM-UHFFFAOYSA-N
XLogP6.98
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.98
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-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
CID 58162799
3-[2,6-di(cyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine
CID 59365997
3-[2,6-bis(4,4-dimethylcyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine
CID 59365979
3-[2-(2-deuterio-2-methylpropyl)-6-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]imidazo[1,2-f]phenanthridine
CID 157249771
ethane;bis(1-ethenyl-2-prop-1-en-2-ylbenzene)
CID 144540747
7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
CID 58163242
ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane
CID 143293542
3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine
CID 70654518
3-(2,6-dimethylphenyl)-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 140948797
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
4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline
CID 170530692
3,16-bis(2,6-dimethylphenyl)-9-[3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610768

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenyl-6-prop-1-en-2-ylphenyl)imidazo[1,2-f]phenanthridine?
The IUPAC name of 3-(2-ethenyl-6-prop-1-en-2-ylphenyl)imidazo[1,2-f]phenanthridine (CID 91114421) is 3-(2-ethenyl-6-prop-1-en-2-ylphenyl)imidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-(2-ethenyl-6-prop-1-en-2-ylphenyl)imidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-(2-ethenyl-6-prop-1-en-2-ylphenyl)imidazo[1,2-f]phenanthridine is C=Cc1cccc(C(=C)C)c1-c1cnc2c3ccccc3c3ccccc3n12.
What is the InChIKey of 3-(2-ethenyl-6-prop-1-en-2-ylphenyl)imidazo[1,2-f]phenanthridine?
The InChIKey is STQJNOZZAKRZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c1-4-18-10-9-14-19(17(2)3)25(18)24-16-27-26-22-13-6-5-11-20(22)21-12-7-8-15-23(21)28(24)26/h4-16H,1-2H2,3H3.
What are the key properties of 3-(2-ethenyl-6-prop-1-en-2-ylphenyl)imidazo[1,2-f]phenanthridine?
3-(2-ethenyl-6-prop-1-en-2-ylphenyl)imidazo[1,2-f]phenanthridine has a molecular weight of 360.46 g/mol, XLogP of 6.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenyl-6-prop-1-en-2-ylphenyl)imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 91114421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).