21,22-dihydroporphyrin;1-(2-hydrazinylhydrazinyl)decane;tetrahydroiodide

C30H44I4N8 — CID 174648296

IUPAC21,22-dihydroporphyrin;1-(2-hydrazinylhydrazinyl)decane;tetrahydroiodide
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.CCCCCCCCCCNNNN.I.I.I.I
InChIInChI=1S/C20H14N4.C10H26N4.4HI/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;1-2-3-4-5-6-7-8-9-10-12-14-13-11;;;;/h1-12,21-22H;12-14H,2-11H2,1H3;4*1H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;;;
InChIKeyWEZXJUGGRSULLK-UCQNTEORSA-N
MW1024.35 g/mol
LogP8.73
Rot. Bonds11

About 21,22-dihydroporphyrin;1-(2-hydrazinylhydrazinyl)decane;tetrahydroiodide

21,22-dihydroporphyrin;1-(2-hydrazinylhydrazinyl)decane;tetrahydroiodide (PubChem CID 174648296) has the molecular formula C30H44I4N8 and a molecular weight of 1024.35 g/mol. Its IUPAC name is 21,22-dihydroporphyrin;1-(2-hydrazinylhydrazinyl)decane;tetrahydroiodide.

Molecular Properties

Compound Name21,22-dihydroporphyrin;1-(2-hydrazinylhydrazinyl)decane;tetrahydroiodide
PubChem CID174648296
Molecular FormulaC30H44I4N8
Molecular Weight1024.35 g/mol
Exact Mass1023.99
IUPAC Name21,22-dihydroporphyrin;1-(2-hydrazinylhydrazinyl)decane;tetrahydroiodide
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.CCCCCCCCCCNNNN.I.I.I.I
InChIInChI=1S/C20H14N4.C10H26N4.4HI/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;1-2-3-4-5-6-7-8-9-10-12-14-13-11;;;;/h1-12,21-22H;12-14H,2-11H2,1H3;4*1H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;;;
InChIKeyWEZXJUGGRSULLK-UCQNTEORSA-N
XLogP8.73
TPSA119.47 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001024.35
LogP ≤ 58.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 21,22-dihydroporphyrin;1-(2-hydrazinylhydrazinyl)decane;tetrahydroiodide?
The IUPAC name of 21,22-dihydroporphyrin;1-(2-hydrazinylhydrazinyl)decane;tetrahydroiodide (CID 174648296) is 21,22-dihydroporphyrin;1-(2-hydrazinylhydrazinyl)decane;tetrahydroiodide.
What is the SMILES notation for 21,22-dihydroporphyrin;1-(2-hydrazinylhydrazinyl)decane;tetrahydroiodide?
The canonical SMILES for 21,22-dihydroporphyrin;1-(2-hydrazinylhydrazinyl)decane;tetrahydroiodide is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.CCCCCCCCCCNNNN.I.I.I.I.
What is the InChIKey of 21,22-dihydroporphyrin;1-(2-hydrazinylhydrazinyl)decane;tetrahydroiodide?
The InChIKey is WEZXJUGGRSULLK-UCQNTEORSA-N. The full InChI is InChI=1S/C20H14N4.C10H26N4.4HI/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;1-2-3-4-5-6-7-8-9-10-12-14-13-11;;;;/h1-12,21-22H;12-14H,2-11H2,1H3;4*1H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;;;.
What are the key properties of 21,22-dihydroporphyrin;1-(2-hydrazinylhydrazinyl)decane;tetrahydroiodide?
21,22-dihydroporphyrin;1-(2-hydrazinylhydrazinyl)decane;tetrahydroiodide has a molecular weight of 1024.35 g/mol, XLogP of 8.73, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 21,22-dihydroporphyrin;1-(2-hydrazinylhydrazinyl)decane;tetrahydroiodide is sourced from PubChem (CID 174648296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).