4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine

C28H20BrN3 — CID 138576331

IUPAC4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine
SMILESCCc1nc2c3c(-c4ccc(Br)cc4)nc4ccccc4c3ccc2n1-c1ccccc1
InChIInChI=1S/C28H20BrN3/c1-2-25-31-28-24(32(25)20-8-4-3-5-9-20)17-16-22-21-10-6-7-11-23(21)30-27(26(22)28)18-12-14-19(29)15-13-18/h3-17H,2H2,1H3
InChIKeyZVKOMZPETVVDDZ-UHFFFAOYSA-N
MW478.39 g/mol
LogP7.72
Rot. Bonds3

About 4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine

4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine (PubChem CID 138576331) has the molecular formula C28H20BrN3 and a molecular weight of 478.39 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine
PubChem CID138576331
Molecular FormulaC28H20BrN3
Molecular Weight478.39 g/mol
Exact Mass477.08
IUPAC Name4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine
SMILESCCc1nc2c3c(-c4ccc(Br)cc4)nc4ccccc4c3ccc2n1-c1ccccc1
InChIInChI=1S/C28H20BrN3/c1-2-25-31-28-24(32(25)20-8-4-3-5-9-20)17-16-22-21-10-6-7-11-23(21)30-27(26(22)28)18-12-14-19(29)15-13-18/h3-17H,2H2,1H3
InChIKeyZVKOMZPETVVDDZ-UHFFFAOYSA-N
XLogP7.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.39
LogP ≤ 57.72
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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Related Compounds

2-ethyl-1-phenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine
CID 154611835
2-ethyl-1-phenyl-4-[4-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]imidazo[4,5-i]phenanthridine
CID 154611847
4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine
CID 154611780
2-ethyl-1-phenyl-4-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine
CID 147980040
2-ethyl-4-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine
CID 160532793
2-ethyl-4-[4-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine
CID 154611795
4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine
CID 147184312
4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 139498588
2-ethyl-4-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine
CID 158742233
2-ethyl-4-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine
CID 154611778
22-[4-(2-ethylbenzimidazol-1-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475087
5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole
CID 162513572

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine?
The IUPAC name of 4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine (CID 138576331) is 4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine.
What is the SMILES notation for 4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine?
The canonical SMILES for 4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine is CCc1nc2c3c(-c4ccc(Br)cc4)nc4ccccc4c3ccc2n1-c1ccccc1.
What is the InChIKey of 4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine?
The InChIKey is ZVKOMZPETVVDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20BrN3/c1-2-25-31-28-24(32(25)20-8-4-3-5-9-20)17-16-22-21-10-6-7-11-23(21)30-27(26(22)28)18-12-14-19(29)15-13-18/h3-17H,2H2,1H3.
What are the key properties of 4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine?
4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine has a molecular weight of 478.39 g/mol, XLogP of 7.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine is sourced from PubChem (CID 138576331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).