5,10,15,20-tetrakis(3-methylimidazol-4-yl)porphyrin

C36H28N12 — CID 67022249

IUPAC5,10,15,20-tetrakis(3-methylimidazol-4-yl)porphyrin
SMILESCn1cncc1/C1=C2\C=CC(=N2)/C(c2cncn2C)=C2/C=CC(=N2)/C(c2cncn2C)=C2/C=CC(=N2)/C(c2cncn2C)=C2/C=CC1=N2
InChIInChI=1S/C36H28N12/c1-45-17-37-13-29(45)33-21-5-7-23(41-21)34(30-14-38-18-46(30)2)25-9-11-27(43-25)36(32-16-40-20-48(32)4)28-12-10-26(44-28)35(24-8-6-22(33)42-24)31-15-39-19-47(31)3/h5-20H,1-4H3/b33-21+,33-22+,34-23+,34-25+,35-24+,35-26+,36-27+,36-28+
InChIKeyKJJXRXIRLDWEFE-DVBRDLRJSA-N
MW628.70 g/mol
LogP4.62
Rot. Bonds4

About 5,10,15,20-tetrakis(3-methylimidazol-4-yl)porphyrin

5,10,15,20-tetrakis(3-methylimidazol-4-yl)porphyrin (PubChem CID 67022249) has the molecular formula C36H28N12 and a molecular weight of 628.70 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(3-methylimidazol-4-yl)porphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(3-methylimidazol-4-yl)porphyrin
PubChem CID67022249
Molecular FormulaC36H28N12
Molecular Weight628.70 g/mol
Exact Mass628.26
IUPAC Name5,10,15,20-tetrakis(3-methylimidazol-4-yl)porphyrin
SMILESCn1cncc1/C1=C2\C=CC(=N2)/C(c2cncn2C)=C2/C=CC(=N2)/C(c2cncn2C)=C2/C=CC(=N2)/C(c2cncn2C)=C2/C=CC1=N2
InChIInChI=1S/C36H28N12/c1-45-17-37-13-29(45)33-21-5-7-23(41-21)34(30-14-38-18-46(30)2)25-9-11-27(43-25)36(32-16-40-20-48(32)4)28-12-10-26(44-28)35(24-8-6-22(33)42-24)31-15-39-19-47(31)3/h5-20H,1-4H3/b33-21+,33-22+,34-23+,34-25+,35-24+,35-26+,36-27+,36-28+
InChIKeyKJJXRXIRLDWEFE-DVBRDLRJSA-N
XLogP4.62
TPSA120.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.70
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5,10,15,20-tetrakis(3-methylimidazol-4-yl)porphyrin with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(3-methylimidazol-4-yl)porphyrin?
The IUPAC name of 5,10,15,20-tetrakis(3-methylimidazol-4-yl)porphyrin (CID 67022249) is 5,10,15,20-tetrakis(3-methylimidazol-4-yl)porphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(3-methylimidazol-4-yl)porphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(3-methylimidazol-4-yl)porphyrin is Cn1cncc1/C1=C2\C=CC(=N2)/C(c2cncn2C)=C2/C=CC(=N2)/C(c2cncn2C)=C2/C=CC(=N2)/C(c2cncn2C)=C2/C=CC1=N2.
What is the InChIKey of 5,10,15,20-tetrakis(3-methylimidazol-4-yl)porphyrin?
The InChIKey is KJJXRXIRLDWEFE-DVBRDLRJSA-N. The full InChI is InChI=1S/C36H28N12/c1-45-17-37-13-29(45)33-21-5-7-23(41-21)34(30-14-38-18-46(30)2)25-9-11-27(43-25)36(32-16-40-20-48(32)4)28-12-10-26(44-28)35(24-8-6-22(33)42-24)31-15-39-19-47(31)3/h5-20H,1-4H3/b33-21+,33-22+,34-23+,34-25+,35-24+,35-26+,36-27+,36-28+.
What are the key properties of 5,10,15,20-tetrakis(3-methylimidazol-4-yl)porphyrin?
5,10,15,20-tetrakis(3-methylimidazol-4-yl)porphyrin has a molecular weight of 628.70 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(3-methylimidazol-4-yl)porphyrin is sourced from PubChem (CID 67022249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).