10-iodo-21,22-dihydroporphyrin

C20H13IN4 — CID 173057969

IUPAC10-iodo-21,22-dihydroporphyrin
SMILESIc1c2nc(cc3nc(cc4ccc(cc5ccc1[nH]5)[nH]4)C=C3)C=C2
InChIInChI=1S/C20H13IN4/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/h1-11,22,24H/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,20-18+,20-19+
InChIKeyVZYRUIFHDLFEPN-DRCNEUIKSA-N
MW436.26 g/mol
LogP5.26
Rot. Bonds

About 10-iodo-21,22-dihydroporphyrin

10-iodo-21,22-dihydroporphyrin (PubChem CID 173057969) has the molecular formula C20H13IN4 and a molecular weight of 436.26 g/mol. Its IUPAC name is 10-iodo-21,22-dihydroporphyrin.

Molecular Properties

Compound Name10-iodo-21,22-dihydroporphyrin
PubChem CID173057969
Molecular FormulaC20H13IN4
Molecular Weight436.26 g/mol
Exact Mass436.02
IUPAC Name10-iodo-21,22-dihydroporphyrin
SMILESIc1c2nc(cc3nc(cc4ccc(cc5ccc1[nH]5)[nH]4)C=C3)C=C2
InChIInChI=1S/C20H13IN4/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/h1-11,22,24H/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,20-18+,20-19+
InChIKeyVZYRUIFHDLFEPN-DRCNEUIKSA-N
XLogP5.26
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.26
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

CID 175757831
CID 175757831
23,24-dihydro-21H-porphyrin-5-one
CID 66692742
2-iodo-21,22-dihydroporphyrin;iron
CID 175161972
zinc 21,22-dihydroporphyrin
CID 21123910
10-nitro-21,22-dihydroporphyrin
CID 173125682
10,20-dimethyl-21,22-dihydroporphyrin
CID 173103171
dizinc;21,22-dihydroporphyrin;tetraiodide
CID 173436903
azanide;cobalt(2+);21,22-dihydroporphyrin
CID 175060320
disodium;21,22-dihydroporphyrin;hydride
CID 174339672
bis(21,22-dihydroporphyrin);nickel;vanadium
CID 175299729
azane;21,22-dihydroporphyrin;zinc
CID 175189190
azane;21,22-dihydroporphyrin;iron
CID 175545548

Frequently Asked Questions

What is the IUPAC name of 10-iodo-21,22-dihydroporphyrin?
The IUPAC name of 10-iodo-21,22-dihydroporphyrin (CID 173057969) is 10-iodo-21,22-dihydroporphyrin.
What is the SMILES notation for 10-iodo-21,22-dihydroporphyrin?
The canonical SMILES for 10-iodo-21,22-dihydroporphyrin is Ic1c2nc(cc3nc(cc4ccc(cc5ccc1[nH]5)[nH]4)C=C3)C=C2.
What is the InChIKey of 10-iodo-21,22-dihydroporphyrin?
The InChIKey is VZYRUIFHDLFEPN-DRCNEUIKSA-N. The full InChI is InChI=1S/C20H13IN4/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/h1-11,22,24H/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,20-18+,20-19+.
What are the key properties of 10-iodo-21,22-dihydroporphyrin?
10-iodo-21,22-dihydroporphyrin has a molecular weight of 436.26 g/mol, XLogP of 5.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-iodo-21,22-dihydroporphyrin is sourced from PubChem (CID 173057969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).