zinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-21-id-2-ylidene]methanolate

C30H24N4OZn — CID 23628975

IUPACzinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-21-id-2-ylidene]methanolate
SMILESCc1ccc(/C2=C3\C=CC(=N3)/C=C3/CC(C)(C)C(=N3)/C=C3/C=CC(=N3)/C=c3\[n-]c2c\c3=C\[O-])cc1.[Zn+2]
InChIInChI=1S/C30H25N4O.Zn/c1-18-4-6-19(7-5-18)29-25-11-10-21(32-25)13-24-16-30(2,3)28(33-24)15-23-9-8-22(31-23)14-26-20(17-35)12-27(29)34-26;/h4-15,17H,16H2,1-3H3,(H-,31,32,33,34,35);/q-1;+2/p-1
InChIKeyDYJBBYXZLMVNAZ-UHFFFAOYSA-M
MW521.94 g/mol
LogP3.26
Rot. Bonds1

About zinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-21-id-2-ylidene]methanolate

zinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-21-id-2-ylidene]methanolate (PubChem CID 23628975) has the molecular formula C30H24N4OZn and a molecular weight of 521.94 g/mol. Its IUPAC name is zinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-21-id-2-ylidene]methanolate.

Molecular Properties

Compound Namezinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-21-id-2-ylidene]methanolate
PubChem CID23628975
Molecular FormulaC30H24N4OZn
Molecular Weight521.94 g/mol
Exact Mass520.12
IUPAC Namezinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-21-id-2-ylidene]methanolate
SMILESCc1ccc(/C2=C3\C=CC(=N3)/C=C3/CC(C)(C)C(=N3)/C=C3/C=CC(=N3)/C=c3\[n-]c2c\c3=C\[O-])cc1.[Zn+2]
InChIInChI=1S/C30H25N4O.Zn/c1-18-4-6-19(7-5-18)29-25-11-10-21(32-25)13-24-16-30(2,3)28(33-24)15-23-9-8-22(31-23)14-26-20(17-35)12-27(29)34-26;/h4-15,17H,16H2,1-3H3,(H-,31,32,33,34,35);/q-1;+2/p-1
InChIKeyDYJBBYXZLMVNAZ-UHFFFAOYSA-M
XLogP3.26
TPSA74.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.94
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze zinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-21-id-2-ylidene]methanolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-Methylphenyl)porphyrin
CID 67722552
2-(4-Methylphenyl)porphyrin
CID 69402981
2-(4-Tert-butylphenyl)porphyrin
CID 174527836
2-Butyl-3-phenylporphyrin
CID 174924593
2-(4-Prop-2-enylphenyl)porphyrin
CID 175040677
2-(4-Ethenylphenyl)porphyrin
CID 175169434
2-(4-Ethylphenyl)porphyrin
CID 175394695
nickel(2+);(Z)-[5,10,15,20-tetrakis(4-methylphenyl)porphyrin-24-id-2-ylidene]methanolate
CID 10169363
zinc (1Z)-1-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18H-porphyrin-21-id-2-ylidene]ethanolate
CID 11497794
zinc (1E)-1-[17,17-dimethyl-10-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-18H-porphyrin-22-id-2-ylidene]ethanolate
CID 16083795
copper (1E)-1-[17,17-dimethyl-10-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-18H-porphyrin-22-id-2-ylidene]ethanolate
CID 16083802
zinc (Z)-[17,17-dimethyl-10-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-18H-porphyrin-22-id-2-ylidene]methanolate
CID 16742703

Frequently Asked Questions

What is the IUPAC name of zinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-21-id-2-ylidene]methanolate?
The IUPAC name of zinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-21-id-2-ylidene]methanolate (CID 23628975) is zinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-21-id-2-ylidene]methanolate.
What is the SMILES notation for zinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-21-id-2-ylidene]methanolate?
The canonical SMILES for zinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-21-id-2-ylidene]methanolate is Cc1ccc(/C2=C3\C=CC(=N3)/C=C3/CC(C)(C)C(=N3)/C=C3/C=CC(=N3)/C=c3\[n-]c2c\c3=C\[O-])cc1.[Zn+2].
What is the InChIKey of zinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-21-id-2-ylidene]methanolate?
The InChIKey is DYJBBYXZLMVNAZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H25N4O.Zn/c1-18-4-6-19(7-5-18)29-25-11-10-21(32-25)13-24-16-30(2,3)28(33-24)15-23-9-8-22(31-23)14-26-20(17-35)12-27(29)34-26;/h4-15,17H,16H2,1-3H3,(H-,31,32,33,34,35);/q-1;+2/p-1.
What are the key properties of zinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-21-id-2-ylidene]methanolate?
zinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-21-id-2-ylidene]methanolate has a molecular weight of 521.94 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-21-id-2-ylidene]methanolate is sourced from PubChem (CID 23628975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).