disodium;21,22-dihydroporphyrin;hydride

C20H16N4Na2 — CID 174339672

IUPACdisodium;21,22-dihydroporphyrin;hydride
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C20H14N4.2Na.2H/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;;;;/h1-12,21-22H;;;;/q;2*+1;2*-1/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;;
InChIKeyWIZFDUFBQXCEDF-YCWHZZGXSA-N
MW358.36 g/mol
LogP-1.11
Rot. Bonds

About disodium;21,22-dihydroporphyrin;hydride

disodium;21,22-dihydroporphyrin;hydride (PubChem CID 174339672) has the molecular formula C20H16N4Na2 and a molecular weight of 358.36 g/mol. Its IUPAC name is disodium;21,22-dihydroporphyrin;hydride.

Molecular Properties

Compound Namedisodium;21,22-dihydroporphyrin;hydride
PubChem CID174339672
Molecular FormulaC20H16N4Na2
Molecular Weight358.36 g/mol
Exact Mass358.12
IUPAC Namedisodium;21,22-dihydroporphyrin;hydride
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C20H14N4.2Na.2H/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;;;;/h1-12,21-22H;;;;/q;2*+1;2*-1/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;;
InChIKeyWIZFDUFBQXCEDF-YCWHZZGXSA-N
XLogP-1.11
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of disodium;21,22-dihydroporphyrin;hydride?
The IUPAC name of disodium;21,22-dihydroporphyrin;hydride (CID 174339672) is disodium;21,22-dihydroporphyrin;hydride.
What is the SMILES notation for disodium;21,22-dihydroporphyrin;hydride?
The canonical SMILES for disodium;21,22-dihydroporphyrin;hydride is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;21,22-dihydroporphyrin;hydride?
The InChIKey is WIZFDUFBQXCEDF-YCWHZZGXSA-N. The full InChI is InChI=1S/C20H14N4.2Na.2H/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;;;;/h1-12,21-22H;;;;/q;2*+1;2*-1/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;;.
What are the key properties of disodium;21,22-dihydroporphyrin;hydride?
disodium;21,22-dihydroporphyrin;hydride has a molecular weight of 358.36 g/mol, XLogP of -1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;21,22-dihydroporphyrin;hydride is sourced from PubChem (CID 174339672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).