10,13-dibromophenanthro[9,10-b]quinoxaline

C20H10Br2N2 — CID 58895057

IUPAC10,13-dibromophenanthro[9,10-b]quinoxaline
SMILESBrc1ccc(Br)c2nc3c4ccccc4c4ccccc4c3nc12
InChIInChI=1S/C20H10Br2N2/c21-15-9-10-16(22)20-19(15)23-17-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18(17)24-20/h1-10H
InChIKeyNIXXDPUGTYFUMD-UHFFFAOYSA-N
MW438.12 g/mol
LogP6.61
Rot. Bonds

About 10,13-dibromophenanthro[9,10-b]quinoxaline

10,13-dibromophenanthro[9,10-b]quinoxaline (PubChem CID 58895057) has the molecular formula C20H10Br2N2 and a molecular weight of 438.12 g/mol. Its IUPAC name is 10,13-dibromophenanthro[9,10-b]quinoxaline.

Molecular Properties

Compound Name10,13-dibromophenanthro[9,10-b]quinoxaline
PubChem CID58895057
Molecular FormulaC20H10Br2N2
Molecular Weight438.12 g/mol
Exact Mass435.92
IUPAC Name10,13-dibromophenanthro[9,10-b]quinoxaline
SMILESBrc1ccc(Br)c2nc3c4ccccc4c4ccccc4c3nc12
InChIInChI=1S/C20H10Br2N2/c21-15-9-10-16(22)20-19(15)23-17-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18(17)24-20/h1-10H
InChIKeyNIXXDPUGTYFUMD-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 10,13-dibromophenanthro[9,10-b]quinoxaline?
The IUPAC name of 10,13-dibromophenanthro[9,10-b]quinoxaline (CID 58895057) is 10,13-dibromophenanthro[9,10-b]quinoxaline.
What is the SMILES notation for 10,13-dibromophenanthro[9,10-b]quinoxaline?
The canonical SMILES for 10,13-dibromophenanthro[9,10-b]quinoxaline is Brc1ccc(Br)c2nc3c4ccccc4c4ccccc4c3nc12.
What is the InChIKey of 10,13-dibromophenanthro[9,10-b]quinoxaline?
The InChIKey is NIXXDPUGTYFUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Br2N2/c21-15-9-10-16(22)20-19(15)23-17-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18(17)24-20/h1-10H.
What are the key properties of 10,13-dibromophenanthro[9,10-b]quinoxaline?
10,13-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 10,13-dibromophenanthro[9,10-b]quinoxaline is sourced from PubChem (CID 58895057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).