zinc 3,3,10,15-tetramethyl-2H-porphyrin-22,24-diide

C24H22N4Zn — CID 59768588

IUPACzinc 3,3,10,15-tetramethyl-2H-porphyrin-22,24-diide
SMILESCc1c2nc(c(C)c3ccc(cc4nc(cc5ccc1[n-]5)CC4(C)C)[n-]3)C=C2.[Zn+2]
InChIInChI=1S/C24H22N4.Zn/c1-14-19-7-5-16(25-19)11-18-13-24(3,4)23(27-18)12-17-6-8-20(26-17)15(2)22-10-9-21(14)28-22;/h5-12H,13H2,1-4H3;/q-2;+2/b16-11-,17-12-,18-11-,19-14-,20-15-,21-14-,22-15-,23-12-;
InChIKeyGHBGBKRTVWDQNX-HYGLFBGBSA-N
MW431.86 g/mol
LogP4.88
Rot. Bonds

About zinc 3,3,10,15-tetramethyl-2H-porphyrin-22,24-diide

zinc 3,3,10,15-tetramethyl-2H-porphyrin-22,24-diide (PubChem CID 59768588) has the molecular formula C24H22N4Zn and a molecular weight of 431.86 g/mol. Its IUPAC name is zinc 3,3,10,15-tetramethyl-2H-porphyrin-22,24-diide.

Molecular Properties

Compound Namezinc 3,3,10,15-tetramethyl-2H-porphyrin-22,24-diide
PubChem CID59768588
Molecular FormulaC24H22N4Zn
Molecular Weight431.86 g/mol
Exact Mass430.11
IUPAC Namezinc 3,3,10,15-tetramethyl-2H-porphyrin-22,24-diide
SMILESCc1c2nc(c(C)c3ccc(cc4nc(cc5ccc1[n-]5)CC4(C)C)[n-]3)C=C2.[Zn+2]
InChIInChI=1S/C24H22N4.Zn/c1-14-19-7-5-16(25-19)11-18-13-24(3,4)23(27-18)12-17-6-8-20(26-17)15(2)22-10-9-21(14)28-22;/h5-12H,13H2,1-4H3;/q-2;+2/b16-11-,17-12-,18-11-,19-14-,20-15-,21-14-,22-15-,23-12-;
InChIKeyGHBGBKRTVWDQNX-HYGLFBGBSA-N
XLogP4.88
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.86
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc 3,3,10,15-tetramethyl-2H-porphyrin-22,24-diide?
The IUPAC name of zinc 3,3,10,15-tetramethyl-2H-porphyrin-22,24-diide (CID 59768588) is zinc 3,3,10,15-tetramethyl-2H-porphyrin-22,24-diide.
What is the SMILES notation for zinc 3,3,10,15-tetramethyl-2H-porphyrin-22,24-diide?
The canonical SMILES for zinc 3,3,10,15-tetramethyl-2H-porphyrin-22,24-diide is Cc1c2nc(c(C)c3ccc(cc4nc(cc5ccc1[n-]5)CC4(C)C)[n-]3)C=C2.[Zn+2].
What is the InChIKey of zinc 3,3,10,15-tetramethyl-2H-porphyrin-22,24-diide?
The InChIKey is GHBGBKRTVWDQNX-HYGLFBGBSA-N. The full InChI is InChI=1S/C24H22N4.Zn/c1-14-19-7-5-16(25-19)11-18-13-24(3,4)23(27-18)12-17-6-8-20(26-17)15(2)22-10-9-21(14)28-22;/h5-12H,13H2,1-4H3;/q-2;+2/b16-11-,17-12-,18-11-,19-14-,20-15-,21-14-,22-15-,23-12-;.
What are the key properties of zinc 3,3,10,15-tetramethyl-2H-porphyrin-22,24-diide?
zinc 3,3,10,15-tetramethyl-2H-porphyrin-22,24-diide has a molecular weight of 431.86 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 3,3,10,15-tetramethyl-2H-porphyrin-22,24-diide is sourced from PubChem (CID 59768588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).