11,12-dibromophenanthro[9,10-b]quinoxaline

C20H10Br2N2 — CID 102221362

IUPAC11,12-dibromophenanthro[9,10-b]quinoxaline
SMILESBrc1cc2nc3c4ccccc4c4ccccc4c3nc2cc1Br
InChIInChI=1S/C20H10Br2N2/c21-15-9-17-18(10-16(15)22)24-20-14-8-4-2-6-12(14)11-5-1-3-7-13(11)19(20)23-17/h1-10H
InChIKeyIKIPYPZXJDPBRD-UHFFFAOYSA-N
MW438.12 g/mol
LogP6.61
Rot. Bonds

About 11,12-dibromophenanthro[9,10-b]quinoxaline

11,12-dibromophenanthro[9,10-b]quinoxaline (PubChem CID 102221362) has the molecular formula C20H10Br2N2 and a molecular weight of 438.12 g/mol. Its IUPAC name is 11,12-dibromophenanthro[9,10-b]quinoxaline.

Molecular Properties

Compound Name11,12-dibromophenanthro[9,10-b]quinoxaline
PubChem CID102221362
Molecular FormulaC20H10Br2N2
Molecular Weight438.12 g/mol
Exact Mass435.92
IUPAC Name11,12-dibromophenanthro[9,10-b]quinoxaline
SMILESBrc1cc2nc3c4ccccc4c4ccccc4c3nc2cc1Br
InChIInChI=1S/C20H10Br2N2/c21-15-9-17-18(10-16(15)22)24-20-14-8-4-2-6-12(14)11-5-1-3-7-13(11)19(20)23-17/h1-10H
InChIKeyIKIPYPZXJDPBRD-UHFFFAOYSA-N
XLogP6.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.12
LogP ≤ 56.61
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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Frequently Asked Questions

What is the IUPAC name of 11,12-dibromophenanthro[9,10-b]quinoxaline?
The IUPAC name of 11,12-dibromophenanthro[9,10-b]quinoxaline (CID 102221362) is 11,12-dibromophenanthro[9,10-b]quinoxaline.
What is the SMILES notation for 11,12-dibromophenanthro[9,10-b]quinoxaline?
The canonical SMILES for 11,12-dibromophenanthro[9,10-b]quinoxaline is Brc1cc2nc3c4ccccc4c4ccccc4c3nc2cc1Br.
What is the InChIKey of 11,12-dibromophenanthro[9,10-b]quinoxaline?
The InChIKey is IKIPYPZXJDPBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Br2N2/c21-15-9-17-18(10-16(15)22)24-20-14-8-4-2-6-12(14)11-5-1-3-7-13(11)19(20)23-17/h1-10H.
What are the key properties of 11,12-dibromophenanthro[9,10-b]quinoxaline?
11,12-dibromophenanthro[9,10-b]quinoxaline has a molecular weight of 438.12 g/mol, XLogP of 6.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dibromophenanthro[9,10-b]quinoxaline is sourced from PubChem (CID 102221362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).