7,10-dibromophenanthro[9,10-b]pyrazine-2,3-dicarbonitrile

C18H6Br2N4 — CID 145309497

IUPAC7,10-dibromophenanthro[9,10-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c3ccc(Br)cc3c3cc(Br)ccc3c2nc1C#N
InChIInChI=1S/C18H6Br2N4/c19-9-1-3-11-13(5-9)14-6-10(20)2-4-12(14)18-17(11)23-15(7-21)16(8-22)24-18/h1-6H
InChIKeyHGEGRKIBGXSHKP-UHFFFAOYSA-N
MW438.08 g/mol
LogP5.20
Rot. Bonds

About 7,10-dibromophenanthro[9,10-b]pyrazine-2,3-dicarbonitrile

7,10-dibromophenanthro[9,10-b]pyrazine-2,3-dicarbonitrile (PubChem CID 145309497) has the molecular formula C18H6Br2N4 and a molecular weight of 438.08 g/mol. Its IUPAC name is 7,10-dibromophenanthro[9,10-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name7,10-dibromophenanthro[9,10-b]pyrazine-2,3-dicarbonitrile
PubChem CID145309497
Molecular FormulaC18H6Br2N4
Molecular Weight438.08 g/mol
Exact Mass435.90
IUPAC Name7,10-dibromophenanthro[9,10-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c3ccc(Br)cc3c3cc(Br)ccc3c2nc1C#N
InChIInChI=1S/C18H6Br2N4/c19-9-1-3-11-13(5-9)14-6-10(20)2-4-12(14)18-17(11)23-15(7-21)16(8-22)24-18/h1-6H
InChIKeyHGEGRKIBGXSHKP-UHFFFAOYSA-N
XLogP5.20
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.08
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 7,10-dibromophenanthro[9,10-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 7,10-dibromophenanthro[9,10-b]pyrazine-2,3-dicarbonitrile (CID 145309497) is 7,10-dibromophenanthro[9,10-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 7,10-dibromophenanthro[9,10-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 7,10-dibromophenanthro[9,10-b]pyrazine-2,3-dicarbonitrile is N#Cc1nc2c3ccc(Br)cc3c3cc(Br)ccc3c2nc1C#N.
What is the InChIKey of 7,10-dibromophenanthro[9,10-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is HGEGRKIBGXSHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6Br2N4/c19-9-1-3-11-13(5-9)14-6-10(20)2-4-12(14)18-17(11)23-15(7-21)16(8-22)24-18/h1-6H.
What are the key properties of 7,10-dibromophenanthro[9,10-b]pyrazine-2,3-dicarbonitrile?
7,10-dibromophenanthro[9,10-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 438.08 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dibromophenanthro[9,10-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 145309497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).