3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine

C22H14Br2N2O — CID 70654518

IUPAC3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine
SMILESCOc1ccc2c3ccccc3n3c(-c4c(Br)cccc4Br)cnc3c2c1
InChIInChI=1S/C22H14Br2N2O/c1-27-13-9-10-14-15-5-2-3-8-19(15)26-20(12-25-22(26)16(14)11-13)21-17(23)6-4-7-18(21)24/h2-12H,1H3
InChIKeyCFWDVVCUSPROPG-UHFFFAOYSA-N
MW482.18 g/mol
LogP6.84
Rot. Bonds2

About 3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine

3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine (PubChem CID 70654518) has the molecular formula C22H14Br2N2O and a molecular weight of 482.18 g/mol. Its IUPAC name is 3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine
PubChem CID70654518
Molecular FormulaC22H14Br2N2O
Molecular Weight482.18 g/mol
Exact Mass479.95
IUPAC Name3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine
SMILESCOc1ccc2c3ccccc3n3c(-c4c(Br)cccc4Br)cnc3c2c1
InChIInChI=1S/C22H14Br2N2O/c1-27-13-9-10-14-15-5-2-3-8-19(15)26-20(12-25-22(26)16(14)11-13)21-17(23)6-4-7-18(21)24/h2-12H,1H3
InChIKeyCFWDVVCUSPROPG-UHFFFAOYSA-N
XLogP6.84
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.18
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine?
The IUPAC name of 3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine (CID 70654518) is 3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine is COc1ccc2c3ccccc3n3c(-c4c(Br)cccc4Br)cnc3c2c1.
What is the InChIKey of 3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine?
The InChIKey is CFWDVVCUSPROPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Br2N2O/c1-27-13-9-10-14-15-5-2-3-8-19(15)26-20(12-25-22(26)16(14)11-13)21-17(23)6-4-7-18(21)24/h2-12H,1H3.
What are the key properties of 3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine?
3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine has a molecular weight of 482.18 g/mol, XLogP of 6.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 70654518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).