3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine

C26H24N2 — CID 58162799

IUPAC3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
SMILESCc1c(C)c(C)c(-c2cnc3c4ccccc4c4ccccc4n23)c(C)c1C
InChIInChI=1S/C26H24N2/c1-15-16(2)18(4)25(19(5)17(15)3)24-14-27-26-22-12-7-6-10-20(22)21-11-8-9-13-23(21)28(24)26/h6-14H,1-5H3
InChIKeyHTGTULBWYXCUPZ-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.85
Rot. Bonds1

About 3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine

3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine (PubChem CID 58162799) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
PubChem CID58162799
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
SMILESCc1c(C)c(C)c(-c2cnc3c4ccccc4c4ccccc4n23)c(C)c1C
InChIInChI=1S/C26H24N2/c1-15-16(2)18(4)25(19(5)17(15)3)24-14-27-26-22-12-7-6-10-20(22)21-11-8-9-13-23(21)28(24)26/h6-14H,1-5H3
InChIKeyHTGTULBWYXCUPZ-UHFFFAOYSA-N
XLogP6.85
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.85
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-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
CID 58163242
3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine
CID 170530717
3-(2-ethenyl-6-prop-1-en-2-ylphenyl)imidazo[1,2-f]phenanthridine
CID 91114421
3-[2-(2-deuterio-2-methylpropyl)-6-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]imidazo[1,2-f]phenanthridine
CID 157249771
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
4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline
CID 170530692
10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 59358314
3-[2,6-di(cyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine
CID 59365997
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
3-[2,6-bis(4,4-dimethylcyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine
CID 59365979
3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine
CID 70654518
3-(2-carbazol-9-ylpropan-2-yl)imidazo[1,2-f]phenanthridine
CID 58162790

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine?
The IUPAC name of 3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine (CID 58162799) is 3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine is Cc1c(C)c(C)c(-c2cnc3c4ccccc4c4ccccc4n23)c(C)c1C.
What is the InChIKey of 3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine?
The InChIKey is HTGTULBWYXCUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2/c1-15-16(2)18(4)25(19(5)17(15)3)24-14-27-26-22-12-7-6-10-20(22)21-11-8-9-13-23(21)28(24)26/h6-14H,1-5H3.
What are the key properties of 3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine?
3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine has a molecular weight of 364.49 g/mol, XLogP of 6.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 58162799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).