3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine

C25H22N2 — CID 142744310

IUPAC3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine
SMILESCc1ccc2c(c1)c1cc(C)ccc1n1c(-c3c(C)cccc3C)cnc21
InChIInChI=1S/C25H22N2/c1-15-8-10-19-20(12-15)21-13-16(2)9-11-22(21)27-23(14-26-25(19)27)24-17(3)6-5-7-18(24)4/h5-14H,1-4H3
InChIKeyVNCYMHRFVYPOQI-UHFFFAOYSA-N
MW350.47 g/mol
LogP6.54
Rot. Bonds1

About 3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine

3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine (PubChem CID 142744310) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine
PubChem CID142744310
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine
SMILESCc1ccc2c(c1)c1cc(C)ccc1n1c(-c3c(C)cccc3C)cnc21
InChIInChI=1S/C25H22N2/c1-15-8-10-19-20(12-15)21-13-16(2)9-11-22(21)27-23(14-26-25(19)27)24-17(3)6-5-7-18(24)4/h5-14H,1-4H3
InChIKeyVNCYMHRFVYPOQI-UHFFFAOYSA-N
XLogP6.54
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 56.54
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-(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
iridium;7-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58943914
3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoroimidazo[1,2-f]phenanthridine
CID 140584992
10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 59358314
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
24-(2,6-dimethylphenyl)-22,25-diazahexacyclo[12.11.0.02,11.05,10.015,20.021,25]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene
CID 140949125
3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
CID 58162799
10-[3-chloro-4-[(8-methylimidazo[1,2-f]phenanthridin-3-yl)amino]phenyl]-N-(2-chlorophenyl)-7-methylimidazo[1,2-f]phenanthridin-3-amine
CID 135212504
3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine
CID 154610637
3,6-bis(2,6-dimethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154611519
3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 160881462

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine?
The IUPAC name of 3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine (CID 142744310) is 3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine is Cc1ccc2c(c1)c1cc(C)ccc1n1c(-c3c(C)cccc3C)cnc21.
What is the InChIKey of 3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine?
The InChIKey is VNCYMHRFVYPOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c1-15-8-10-19-20(12-15)21-13-16(2)9-11-22(21)27-23(14-26-25(19)27)24-17(3)6-5-7-18(24)4/h5-14H,1-4H3.
What are the key properties of 3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine?
3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine has a molecular weight of 350.47 g/mol, XLogP of 6.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 142744310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).