2,7,11-tribromophenanthro[9,10-b]quinoxaline

C20H9Br3N2 — CID 162716062

IUPAC2,7,11-tribromophenanthro[9,10-b]quinoxaline
SMILESBrc1ccc2nc3c4cc(Br)ccc4c4ccc(Br)cc4c3nc2c1
InChIInChI=1S/C20H9Br3N2/c21-10-1-4-13-14-5-2-11(22)8-16(14)20-19(15(13)7-10)24-17-6-3-12(23)9-18(17)25-20/h1-9H
InChIKeyUXKYOGYJXOQNAS-UHFFFAOYSA-N
MW517.02 g/mol
LogP7.38
Rot. Bonds

About 2,7,11-tribromophenanthro[9,10-b]quinoxaline

2,7,11-tribromophenanthro[9,10-b]quinoxaline (PubChem CID 162716062) has the molecular formula C20H9Br3N2 and a molecular weight of 517.02 g/mol. Its IUPAC name is 2,7,11-tribromophenanthro[9,10-b]quinoxaline.

Molecular Properties

Compound Name2,7,11-tribromophenanthro[9,10-b]quinoxaline
PubChem CID162716062
Molecular FormulaC20H9Br3N2
Molecular Weight517.02 g/mol
Exact Mass513.83
IUPAC Name2,7,11-tribromophenanthro[9,10-b]quinoxaline
SMILESBrc1ccc2nc3c4cc(Br)ccc4c4ccc(Br)cc4c3nc2c1
InChIInChI=1S/C20H9Br3N2/c21-10-1-4-13-14-5-2-11(22)8-16(14)20-19(15(13)7-10)24-17-6-3-12(23)9-18(17)25-20/h1-9H
InChIKeyUXKYOGYJXOQNAS-UHFFFAOYSA-N
XLogP7.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.02
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,7-dibromo-11,12-dimethoxyphenanthro[9,10-b]quinoxaline
CID 101448354
11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium
CID 162460175
7-bromo-1-methylphenazine
CID 70908217
2-bromo-8-chlorophenazine
CID 119028483
2,4,8-tribromo-3-chlorophenazin-1-ol
CID 165155817
6-bromo-2,3-dithiophen-2-ylquinoxaline
CID 130199488
2-bromo-8-propan-2-ylphenazine
CID 119028481
3,6-dibromobenzo[b]triphenylene
CID 155269401
5-bromo-3-iodo-2H-indazole
CID 23156224
2,4,7-tribromoquinoline
CID 90123951
2,7-dibromoquinoxaline
CID 827486
7-bromophenazine-1-carboxamide
CID 118197031

Frequently Asked Questions

What is the IUPAC name of 2,7,11-tribromophenanthro[9,10-b]quinoxaline?
The IUPAC name of 2,7,11-tribromophenanthro[9,10-b]quinoxaline (CID 162716062) is 2,7,11-tribromophenanthro[9,10-b]quinoxaline.
What is the SMILES notation for 2,7,11-tribromophenanthro[9,10-b]quinoxaline?
The canonical SMILES for 2,7,11-tribromophenanthro[9,10-b]quinoxaline is Brc1ccc2nc3c4cc(Br)ccc4c4ccc(Br)cc4c3nc2c1.
What is the InChIKey of 2,7,11-tribromophenanthro[9,10-b]quinoxaline?
The InChIKey is UXKYOGYJXOQNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9Br3N2/c21-10-1-4-13-14-5-2-11(22)8-16(14)20-19(15(13)7-10)24-17-6-3-12(23)9-18(17)25-20/h1-9H.
What are the key properties of 2,7,11-tribromophenanthro[9,10-b]quinoxaline?
2,7,11-tribromophenanthro[9,10-b]quinoxaline has a molecular weight of 517.02 g/mol, XLogP of 7.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,11-tribromophenanthro[9,10-b]quinoxaline is sourced from PubChem (CID 162716062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).