11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine

C19H17BrN2 — CID 154610318

IUPAC11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine
SMILESCC(C)(C)c1ccc2c(c1)c1ccc(Br)cc1c1nccn21
InChIInChI=1S/C19H17BrN2/c1-19(2,3)12-4-7-17-15(10-12)14-6-5-13(20)11-16(14)18-21-8-9-22(17)18/h4-11H,1-3H3
InChIKeyRKTOUUGRODMZCT-UHFFFAOYSA-N
MW353.26 g/mol
LogP5.70
Rot. Bonds

About 11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine

11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine (PubChem CID 154610318) has the molecular formula C19H17BrN2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine
PubChem CID154610318
Molecular FormulaC19H17BrN2
Molecular Weight353.26 g/mol
Exact Mass352.06
IUPAC Name11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine
SMILESCC(C)(C)c1ccc2c(c1)c1ccc(Br)cc1c1nccn21
InChIInChI=1S/C19H17BrN2/c1-19(2,3)12-4-7-17-15(10-12)14-6-5-13(20)11-16(14)18-21-8-9-22(17)18/h4-11H,1-3H3
InChIKeyRKTOUUGRODMZCT-UHFFFAOYSA-N
XLogP5.70
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.26
LogP ≤ 55.70
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

11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine
CID 135379707
11-bromo-7-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 154611098
7-butyl-10-tert-butylimidazo[1,2-f]phenanthridine
CID 153277944
7,10-dimethylimidazo[1,2-f]phenanthridine
CID 58943988
9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole
CID 146197640
imidazo[1,2-f]phenanthridin-7-amine
CID 138528854
9-(4-bromophenyl)-3,6-ditert-butylcarbazole
CID 139082644
6,7-dimethylimidazo[1,2-f]phenanthridin-11-ol
CID 135379703
6-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611149
3-bromo-7-tert-butyldibenzofuran
CID 134401866
12,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(25),2,4,6,8,10,13,15,17,19,21,23-dodecaene
CID 155769701
9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole
CID 138478846

Frequently Asked Questions

What is the IUPAC name of 11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine?
The IUPAC name of 11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine (CID 154610318) is 11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine?
The canonical SMILES for 11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine is CC(C)(C)c1ccc2c(c1)c1ccc(Br)cc1c1nccn21.
What is the InChIKey of 11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine?
The InChIKey is RKTOUUGRODMZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2/c1-19(2,3)12-4-7-17-15(10-12)14-6-5-13(20)11-16(14)18-21-8-9-22(17)18/h4-11H,1-3H3.
What are the key properties of 11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine?
11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine has a molecular weight of 353.26 g/mol, XLogP of 5.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 154610318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).