5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22,23,24-tetrahydroporphyrin

C36H32N12 — CID 90979284

IUPAC5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22,23,24-tetrahydroporphyrin
SMILESCn1cncc1C1=c2ccc([nH]2)=C(c2cncn2C)c2ccc([nH]2)C(c2cncn2C)=c2ccc([nH]2)=C(c2cncn2C)c2ccc1[nH]2
InChIInChI=1S/C36H32N12/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/h5-20,41-44H,1-4H3
InChIKeyRAMLBKNDUUBBDP-UHFFFAOYSA-N
MW632.74 g/mol
LogP1.24
Rot. Bonds4

About 5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 90979284) has the molecular formula C36H32N12 and a molecular weight of 632.74 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22,23,24-tetrahydroporphyrin
PubChem CID90979284
Molecular FormulaC36H32N12
Molecular Weight632.74 g/mol
Exact Mass632.29
IUPAC Name5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22,23,24-tetrahydroporphyrin
SMILESCn1cncc1C1=c2ccc([nH]2)=C(c2cncn2C)c2ccc([nH]2)C(c2cncn2C)=c2ccc([nH]2)=C(c2cncn2C)c2ccc1[nH]2
InChIInChI=1S/C36H32N12/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/h5-20,41-44H,1-4H3
InChIKeyRAMLBKNDUUBBDP-UHFFFAOYSA-N
XLogP1.24
TPSA134.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.74
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22,23,24-tetrahydroporphyrin 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)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22,23,24-tetrahydroporphyrin (CID 90979284) is 5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22,23,24-tetrahydroporphyrin is Cn1cncc1C1=c2ccc([nH]2)=C(c2cncn2C)c2ccc([nH]2)C(c2cncn2C)=c2ccc([nH]2)=C(c2cncn2C)c2ccc1[nH]2.
What is the InChIKey of 5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is RAMLBKNDUUBBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N12/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/h5-20,41-44H,1-4H3.
What are the key properties of 5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 632.74 g/mol, XLogP of 1.24, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 90979284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).