5,15-dibromoporphyrin

C20H10Br2N4 — CID 69297646

IUPAC5,15-dibromoporphyrin
SMILESBr/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C(Br)=C2/C=CC(=N2)/C=C2/C=CC1=N2
InChIInChI=1S/C20H10Br2N4/c21-19-15-5-1-11(23-15)9-12-2-6-17(24-12)20(22)18-8-4-14(26-18)10-13-3-7-16(19)25-13/h1-10H/b11-9-,12-9-,13-10-,14-10-,19-15+,19-16+,20-17+,20-18+
InChIKeyOKNJYTHGSREOBF-MCPZTIHVSA-N
MW466.14 g/mol
LogP5.02
Rot. Bonds

About 5,15-dibromoporphyrin

5,15-dibromoporphyrin (PubChem CID 69297646) has the molecular formula C20H10Br2N4 and a molecular weight of 466.14 g/mol. Its IUPAC name is 5,15-dibromoporphyrin.

Molecular Properties

Compound Name5,15-dibromoporphyrin
PubChem CID69297646
Molecular FormulaC20H10Br2N4
Molecular Weight466.14 g/mol
Exact Mass463.93
IUPAC Name5,15-dibromoporphyrin
SMILESBr/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C(Br)=C2/C=CC(=N2)/C=C2/C=CC1=N2
InChIInChI=1S/C20H10Br2N4/c21-19-15-5-1-11(23-15)9-12-2-6-17(24-12)20(22)18-8-4-14(26-18)10-13-3-7-16(19)25-13/h1-10H/b11-9-,12-9-,13-10-,14-10-,19-15+,19-16+,20-17+,20-18+
InChIKeyOKNJYTHGSREOBF-MCPZTIHVSA-N
XLogP5.02
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.14
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,15-dibromoporphyrin?
The IUPAC name of 5,15-dibromoporphyrin (CID 69297646) is 5,15-dibromoporphyrin.
What is the SMILES notation for 5,15-dibromoporphyrin?
The canonical SMILES for 5,15-dibromoporphyrin is Br/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C(Br)=C2/C=CC(=N2)/C=C2/C=CC1=N2.
What is the InChIKey of 5,15-dibromoporphyrin?
The InChIKey is OKNJYTHGSREOBF-MCPZTIHVSA-N. The full InChI is InChI=1S/C20H10Br2N4/c21-19-15-5-1-11(23-15)9-12-2-6-17(24-12)20(22)18-8-4-14(26-18)10-13-3-7-16(19)25-13/h1-10H/b11-9-,12-9-,13-10-,14-10-,19-15+,19-16+,20-17+,20-18+.
What are the key properties of 5,15-dibromoporphyrin?
5,15-dibromoporphyrin has a molecular weight of 466.14 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-dibromoporphyrin is sourced from PubChem (CID 69297646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).