5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole

C23H12Br3N3 — CID 58882268

IUPAC5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
SMILESBrc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccc(Br)cc5c4[nH]3)c2c1
InChIInChI=1S/C23H12Br3N3/c24-11-1-4-14-15-5-2-12(25)9-18(15)22-21(17(14)8-11)28-23(29-22)19-10-27-20-6-3-13(26)7-16(19)20/h1-10,27H,(H,28,29)
InChIKeyGJFKCVSNCDKYFC-UHFFFAOYSA-N
MW570.08 g/mol
LogP8.31
Rot. Bonds1

About 5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole

5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole (PubChem CID 58882268) has the molecular formula C23H12Br3N3 and a molecular weight of 570.08 g/mol. Its IUPAC name is 5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
PubChem CID58882268
Molecular FormulaC23H12Br3N3
Molecular Weight570.08 g/mol
Exact Mass566.86
IUPAC Name5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
SMILESBrc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccc(Br)cc5c4[nH]3)c2c1
InChIInChI=1S/C23H12Br3N3/c24-11-1-4-14-15-5-2-12(25)9-18(15)22-21(17(14)8-11)28-23(29-22)19-10-27-20-6-3-13(26)7-16(19)20/h1-10,27H,(H,28,29)
InChIKeyGJFKCVSNCDKYFC-UHFFFAOYSA-N
XLogP8.31
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.08
LogP ≤ 58.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole (CID 58882268) is 5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole is Brc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccc(Br)cc5c4[nH]3)c2c1.
What is the InChIKey of 5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?
The InChIKey is GJFKCVSNCDKYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12Br3N3/c24-11-1-4-14-15-5-2-12(25)9-18(15)22-21(17(14)8-11)28-23(29-22)19-10-27-20-6-3-13(26)7-16(19)20/h1-10,27H,(H,28,29).
What are the key properties of 5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?
5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole has a molecular weight of 570.08 g/mol, XLogP of 8.31, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 58882268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).