7-tert-butyl-5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridine

C27H26N2 — CID 58162335

IUPAC7-tert-butyl-5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridine
SMILESCc1cccc(C)c1-c1cc(C(C)(C)C)cc2c3ccccc3c3nccn3c12
InChIInChI=1S/C27H26N2/c1-17-9-8-10-18(2)24(17)23-16-19(27(3,4)5)15-22-20-11-6-7-12-21(20)26-28-13-14-29(26)25(22)23/h6-16H,1-5H3
InChIKeyKYNXSPIOSHVDNM-UHFFFAOYSA-N
MW378.52 g/mol
LogP7.22
Rot. Bonds1

About 7-tert-butyl-5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridine

7-tert-butyl-5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridine (PubChem CID 58162335) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 7-tert-butyl-5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name7-tert-butyl-5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridine
PubChem CID58162335
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name7-tert-butyl-5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridine
SMILESCc1cccc(C)c1-c1cc(C(C)(C)C)cc2c3ccccc3c3nccn3c12
InChIInChI=1S/C27H26N2/c1-17-9-8-10-18(2)24(17)23-16-19(27(3,4)5)15-22-20-11-6-7-12-21(20)26-28-13-14-29(26)25(22)23/h6-16H,1-5H3
InChIKeyKYNXSPIOSHVDNM-UHFFFAOYSA-N
XLogP7.22
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 57.22
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

5,7-bis(2,6-dimethylphenyl)-11-imidazo[1,2-f]phenanthridin-11-yloxyimidazo[1,2-f]phenanthridine
CID 170672592
5,8-dimethylimidazo[1,2-f]phenanthridine
CID 58162818
3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine
CID 154610637
5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine
CID 58163128
9-[5,6-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610964
8-(2,6-dimethylphenyl)-11-[8-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine
CID 154610256
imidazo[1,2-f]phenanthridin-7-amine
CID 138528854
5-tert-butyl-11-(5-tert-butylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine
CID 154610273
9-[5,8-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
CID 154610500
5,7-bis(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611608
12-methylimidazo[1,2-f]phenanthridine
CID 67953611
9-(5-phenylimidazo[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 154610294

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridine?
The IUPAC name of 7-tert-butyl-5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridine (CID 58162335) is 7-tert-butyl-5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridine.
What is the SMILES notation for 7-tert-butyl-5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridine?
The canonical SMILES for 7-tert-butyl-5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridine is Cc1cccc(C)c1-c1cc(C(C)(C)C)cc2c3ccccc3c3nccn3c12.
What is the InChIKey of 7-tert-butyl-5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridine?
The InChIKey is KYNXSPIOSHVDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c1-17-9-8-10-18(2)24(17)23-16-19(27(3,4)5)15-22-20-11-6-7-12-21(20)26-28-13-14-29(26)25(22)23/h6-16H,1-5H3.
What are the key properties of 7-tert-butyl-5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridine?
7-tert-butyl-5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridine has a molecular weight of 378.52 g/mol, XLogP of 7.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 58162335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).