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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).