5-bromo-21,22-dihydroporphyrin

C20H13BrN4 — CID 152743455

IUPAC5-bromo-21,22-dihydroporphyrin
SMILESBrc1c2ccc(cc3nc(cc4nc(cc5ccc1[nH]5)C=C4)C=C3)[nH]2
InChIInChI=1S/C20H13BrN4/c21-20-18-7-5-16(24-18)10-14-3-1-12(22-14)9-13-2-4-15(23-13)11-17-6-8-19(20)25-17/h1-11,24-25H/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,20-18+,20-19+
InChIKeyPLTVPTFUPURDGC-DRCNEUIKSA-N
MW389.26 g/mol
LogP5.42
Rot. Bonds

About 5-bromo-21,22-dihydroporphyrin

5-bromo-21,22-dihydroporphyrin (PubChem CID 152743455) has the molecular formula C20H13BrN4 and a molecular weight of 389.26 g/mol. Its IUPAC name is 5-bromo-21,22-dihydroporphyrin.

Molecular Properties

Compound Name5-bromo-21,22-dihydroporphyrin
PubChem CID152743455
Molecular FormulaC20H13BrN4
Molecular Weight389.26 g/mol
Exact Mass388.03
IUPAC Name5-bromo-21,22-dihydroporphyrin
SMILESBrc1c2ccc(cc3nc(cc4nc(cc5ccc1[nH]5)C=C4)C=C3)[nH]2
InChIInChI=1S/C20H13BrN4/c21-20-18-7-5-16(24-18)10-14-3-1-12(22-14)9-13-2-4-15(23-13)11-17-6-8-19(20)25-17/h1-11,24-25H/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,20-18+,20-19+
InChIKeyPLTVPTFUPURDGC-DRCNEUIKSA-N
XLogP5.42
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.26
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

21,22-dihydroporphyrin;iron;1,2,3,4-tetrabromobenzene
CID 175496052
zinc 21,22-dihydroporphyrin
CID 21123910
CID 175757831
CID 175757831
21,23-dihydroporphyrin;trihydrochloride
CID 172691359
3-bromo-2-methyl-21,22-dihydroporphyrin
CID 154016729
bis(21,22-dihydroporphyrin);nickel;vanadium
CID 175299729
disodium;21,22-dihydroporphyrin;hydride
CID 174339672
21,22-dihydroporphyrin;ethene
CID 158658158
azane;21,22-dihydroporphyrin;iron
CID 175545548
dizinc;21,22-dihydroporphyrin;tetraiodide
CID 173436903
azanide;cobalt(2+);21,22-dihydroporphyrin
CID 175060320
azane;21,22-dihydroporphyrin;zinc
CID 175189190

Frequently Asked Questions

What is the IUPAC name of 5-bromo-21,22-dihydroporphyrin?
The IUPAC name of 5-bromo-21,22-dihydroporphyrin (CID 152743455) is 5-bromo-21,22-dihydroporphyrin.
What is the SMILES notation for 5-bromo-21,22-dihydroporphyrin?
The canonical SMILES for 5-bromo-21,22-dihydroporphyrin is Brc1c2ccc(cc3nc(cc4nc(cc5ccc1[nH]5)C=C4)C=C3)[nH]2.
What is the InChIKey of 5-bromo-21,22-dihydroporphyrin?
The InChIKey is PLTVPTFUPURDGC-DRCNEUIKSA-N. The full InChI is InChI=1S/C20H13BrN4/c21-20-18-7-5-16(24-18)10-14-3-1-12(22-14)9-13-2-4-15(23-13)11-17-6-8-19(20)25-17/h1-11,24-25H/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,20-18+,20-19+.
What are the key properties of 5-bromo-21,22-dihydroporphyrin?
5-bromo-21,22-dihydroporphyrin has a molecular weight of 389.26 g/mol, XLogP of 5.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-21,22-dihydroporphyrin is sourced from PubChem (CID 152743455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).