5,10,15,20-tetrakis(1-methylimidazol-2-yl)porphyrin

C36H28N12 — CID 67022214

IUPAC5,10,15,20-tetrakis(1-methylimidazol-2-yl)porphyrin
SMILESCn1ccnc1/C1=C2\C=CC(=N2)/C(c2nccn2C)=C2/C=CC(=N2)/C(c2nccn2C)=C2/C=CC(=N2)/C(c2nccn2C)=C2/C=CC1=N2
InChIInChI=1S/C36H28N12/c1-45-17-13-37-33(45)29-21-5-7-23(41-21)30(34-38-14-18-46(34)2)25-9-11-27(43-25)32(36-40-16-20-48(36)4)28-12-10-26(44-28)31(24-8-6-22(29)42-24)35-39-15-19-47(35)3/h5-20H,1-4H3/b29-21+,29-22+,30-23+,30-25+,31-24+,31-26+,32-27+,32-28+
InChIKeyMMACEPNIMRLGCD-QQZXBORTSA-N
MW628.70 g/mol
LogP4.62
Rot. Bonds4

About 5,10,15,20-tetrakis(1-methylimidazol-2-yl)porphyrin

5,10,15,20-tetrakis(1-methylimidazol-2-yl)porphyrin (PubChem CID 67022214) has the molecular formula C36H28N12 and a molecular weight of 628.70 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(1-methylimidazol-2-yl)porphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(1-methylimidazol-2-yl)porphyrin
PubChem CID67022214
Molecular FormulaC36H28N12
Molecular Weight628.70 g/mol
Exact Mass628.26
IUPAC Name5,10,15,20-tetrakis(1-methylimidazol-2-yl)porphyrin
SMILESCn1ccnc1/C1=C2\C=CC(=N2)/C(c2nccn2C)=C2/C=CC(=N2)/C(c2nccn2C)=C2/C=CC(=N2)/C(c2nccn2C)=C2/C=CC1=N2
InChIInChI=1S/C36H28N12/c1-45-17-13-37-33(45)29-21-5-7-23(41-21)30(34-38-14-18-46(34)2)25-9-11-27(43-25)32(36-40-16-20-48(36)4)28-12-10-26(44-28)31(24-8-6-22(29)42-24)35-39-15-19-47(35)3/h5-20H,1-4H3/b29-21+,29-22+,30-23+,30-25+,31-24+,31-26+,32-27+,32-28+
InChIKeyMMACEPNIMRLGCD-QQZXBORTSA-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

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(1-methylimidazol-2-yl)porphyrin?
The IUPAC name of 5,10,15,20-tetrakis(1-methylimidazol-2-yl)porphyrin (CID 67022214) is 5,10,15,20-tetrakis(1-methylimidazol-2-yl)porphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(1-methylimidazol-2-yl)porphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(1-methylimidazol-2-yl)porphyrin is Cn1ccnc1/C1=C2\C=CC(=N2)/C(c2nccn2C)=C2/C=CC(=N2)/C(c2nccn2C)=C2/C=CC(=N2)/C(c2nccn2C)=C2/C=CC1=N2.
What is the InChIKey of 5,10,15,20-tetrakis(1-methylimidazol-2-yl)porphyrin?
The InChIKey is MMACEPNIMRLGCD-QQZXBORTSA-N. The full InChI is InChI=1S/C36H28N12/c1-45-17-13-37-33(45)29-21-5-7-23(41-21)30(34-38-14-18-46(34)2)25-9-11-27(43-25)32(36-40-16-20-48(36)4)28-12-10-26(44-28)31(24-8-6-22(29)42-24)35-39-15-19-47(35)3/h5-20H,1-4H3/b29-21+,29-22+,30-23+,30-25+,31-24+,31-26+,32-27+,32-28+.
What are the key properties of 5,10,15,20-tetrakis(1-methylimidazol-2-yl)porphyrin?
5,10,15,20-tetrakis(1-methylimidazol-2-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(1-methylimidazol-2-yl)porphyrin is sourced from PubChem (CID 67022214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).