bis(21,22-dihydroporphyrin);nickel;vanadium

C40H28N8NiV — CID 175299729

IUPACbis(21,22-dihydroporphyrin);nickel;vanadium
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Ni].[V]
InChIInChI=1S/2C20H14N4.Ni.V/c2*1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;;/h2*1-12,21-22H;;/b2*13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;
InChIKeyRKUWLKFDRYYNPX-GFHGNTGXSA-N
MW730.36 g/mol
LogP9.31
Rot. Bonds

About bis(21,22-dihydroporphyrin);nickel;vanadium

bis(21,22-dihydroporphyrin);nickel;vanadium (PubChem CID 175299729) has the molecular formula C40H28N8NiV and a molecular weight of 730.36 g/mol. Its IUPAC name is bis(21,22-dihydroporphyrin);nickel;vanadium.

Molecular Properties

Compound Namebis(21,22-dihydroporphyrin);nickel;vanadium
PubChem CID175299729
Molecular FormulaC40H28N8NiV
Molecular Weight730.36 g/mol
Exact Mass729.12
IUPAC Namebis(21,22-dihydroporphyrin);nickel;vanadium
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Ni].[V]
InChIInChI=1S/2C20H14N4.Ni.V/c2*1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;;/h2*1-12,21-22H;;/b2*13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;
InChIKeyRKUWLKFDRYYNPX-GFHGNTGXSA-N
XLogP9.31
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.36
LogP ≤ 59.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(21,22-dihydroporphyrin);nickel;vanadium?
The IUPAC name of bis(21,22-dihydroporphyrin);nickel;vanadium (CID 175299729) is bis(21,22-dihydroporphyrin);nickel;vanadium.
What is the SMILES notation for bis(21,22-dihydroporphyrin);nickel;vanadium?
The canonical SMILES for bis(21,22-dihydroporphyrin);nickel;vanadium is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Ni].[V].
What is the InChIKey of bis(21,22-dihydroporphyrin);nickel;vanadium?
The InChIKey is RKUWLKFDRYYNPX-GFHGNTGXSA-N. The full InChI is InChI=1S/2C20H14N4.Ni.V/c2*1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;;/h2*1-12,21-22H;;/b2*13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;.
What are the key properties of bis(21,22-dihydroporphyrin);nickel;vanadium?
bis(21,22-dihydroporphyrin);nickel;vanadium has a molecular weight of 730.36 g/mol, XLogP of 9.31, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(21,22-dihydroporphyrin);nickel;vanadium is sourced from PubChem (CID 175299729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).