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

C28H26F2N2 — CID 140584992

IUPAC3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoroimidazo[1,2-f]phenanthridine
SMILESCc1cccc(C)c1-c1cnc2c3ccc(F)cc3c3cc(CC(C)(C)C)c(F)cc3n12
InChIInChI=1S/C28H26F2N2/c1-16-7-6-8-17(2)26(16)25-15-31-27-20-10-9-19(29)12-21(20)22-11-18(14-28(3,4)5)23(30)13-24(22)32(25)27/h6-13,15H,14H2,1-5H3
InChIKeyJZYKDKLSGVLOGZ-UHFFFAOYSA-N
MW428.53 g/mol
LogP7.79
Rot. Bonds2

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

3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoroimidazo[1,2-f]phenanthridine (PubChem CID 140584992) has the molecular formula C28H26F2N2 and a molecular weight of 428.53 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoroimidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoroimidazo[1,2-f]phenanthridine
PubChem CID140584992
Molecular FormulaC28H26F2N2
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoroimidazo[1,2-f]phenanthridine
SMILESCc1cccc(C)c1-c1cnc2c3ccc(F)cc3c3cc(CC(C)(C)C)c(F)cc3n12
InChIInChI=1S/C28H26F2N2/c1-16-7-6-8-17(2)26(16)25-15-31-27-20-10-9-19(29)12-21(20)22-11-18(14-28(3,4)5)23(30)13-24(22)32(25)27/h6-13,15H,14H2,1-5H3
InChIKeyJZYKDKLSGVLOGZ-UHFFFAOYSA-N
XLogP7.79
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 57.79
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-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine
CID 142744310
1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 58162877
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
3,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-(2,3,4,5,6-pentafluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7,9,10-trifluoro-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 160784608
8-(2,6-dimethylphenyl)-3-(2,2-dimethylpropyl)-4-(2-methylbutan-2-yl)-3,5,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene
CID 58162820
magnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride
CID 58163278
6,7-bis(2,2-dimethylpropyl)-3-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6,7-dimethyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);tetrakis(yttrium)
CID 157352487
3-(2,6-diethylphenyl)-2,5,14,16-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene
CID 140949051
7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
CID 58163242
3,5,6,10-tetrafluoroimidazo[1,2-f]phenanthridine
CID 140584847
3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58162639
4-(2,2-dimethylpropyl)-3-fluoroaniline
CID 121316201

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoroimidazo[1,2-f]phenanthridine?
The IUPAC name of 3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoroimidazo[1,2-f]phenanthridine (CID 140584992) is 3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoroimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoroimidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoroimidazo[1,2-f]phenanthridine is Cc1cccc(C)c1-c1cnc2c3ccc(F)cc3c3cc(CC(C)(C)C)c(F)cc3n12.
What is the InChIKey of 3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoroimidazo[1,2-f]phenanthridine?
The InChIKey is JZYKDKLSGVLOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N2/c1-16-7-6-8-17(2)26(16)25-15-31-27-20-10-9-19(29)12-21(20)22-11-18(14-28(3,4)5)23(30)13-24(22)32(25)27/h6-13,15H,14H2,1-5H3.
What are the key properties of 3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoroimidazo[1,2-f]phenanthridine?
3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoroimidazo[1,2-f]phenanthridine has a molecular weight of 428.53 g/mol, XLogP of 7.79, 2 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-(2,2-dimethylpropyl)-6,10-difluoroimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 140584992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).