5,10,15,20-tetrakis(1H-imidazol-2-yl)-21,23-dihydroporphyrin

C32H22N12 — CID 135536062

IUPAC5,10,15,20-tetrakis(1H-imidazol-2-yl)-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ncc[nH]1)c1ccc([nH]1)c(-c1ncc[nH]1)c1nc(c(-c3ncc[nH]3)c3ccc([nH]3)c2-c2ncc[nH]2)C=C1
InChIInChI=1S/C32H22N12/c1-2-18-26(30-35-11-12-36-30)20-5-6-22(43-20)28(32-39-15-16-40-32)24-8-7-23(44-24)27(31-37-13-14-38-31)21-4-3-19(42-21)25(17(1)41-18)29-33-9-10-34-29/h1-16,41,44H,(H,33,34)(H,35,36)(H,37,38)(H,39,40)/b25-17+,25-19+,26-18+,26-20+,27-21+,27-23+,28-22+,28-24+
InChIKeyHDDWYSDPYDYTCI-SCNOFKTBSA-N
MW574.61 g/mol
LogP6.22
Rot. Bonds4

About 5,10,15,20-tetrakis(1H-imidazol-2-yl)-21,23-dihydroporphyrin

5,10,15,20-tetrakis(1H-imidazol-2-yl)-21,23-dihydroporphyrin (PubChem CID 135536062) has the molecular formula C32H22N12 and a molecular weight of 574.61 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(1H-imidazol-2-yl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(1H-imidazol-2-yl)-21,23-dihydroporphyrin
PubChem CID135536062
Molecular FormulaC32H22N12
Molecular Weight574.61 g/mol
Exact Mass574.21
IUPAC Name5,10,15,20-tetrakis(1H-imidazol-2-yl)-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ncc[nH]1)c1ccc([nH]1)c(-c1ncc[nH]1)c1nc(c(-c3ncc[nH]3)c3ccc([nH]3)c2-c2ncc[nH]2)C=C1
InChIInChI=1S/C32H22N12/c1-2-18-26(30-35-11-12-36-30)20-5-6-22(43-20)28(32-39-15-16-40-32)24-8-7-23(44-24)27(31-37-13-14-38-31)21-4-3-19(42-21)25(17(1)41-18)29-33-9-10-34-29/h1-16,41,44H,(H,33,34)(H,35,36)(H,37,38)(H,39,40)/b25-17+,25-19+,26-18+,26-20+,27-21+,27-23+,28-22+,28-24+
InChIKeyHDDWYSDPYDYTCI-SCNOFKTBSA-N
XLogP6.22
TPSA172.08 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500574.61
LogP ≤ 56.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(1H-imidazol-2-yl)-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(1H-imidazol-2-yl)-21,23-dihydroporphyrin (CID 135536062) is 5,10,15,20-tetrakis(1H-imidazol-2-yl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(1H-imidazol-2-yl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(1H-imidazol-2-yl)-21,23-dihydroporphyrin is C1=Cc2nc1c(-c1ncc[nH]1)c1ccc([nH]1)c(-c1ncc[nH]1)c1nc(c(-c3ncc[nH]3)c3ccc([nH]3)c2-c2ncc[nH]2)C=C1.
What is the InChIKey of 5,10,15,20-tetrakis(1H-imidazol-2-yl)-21,23-dihydroporphyrin?
The InChIKey is HDDWYSDPYDYTCI-SCNOFKTBSA-N. The full InChI is InChI=1S/C32H22N12/c1-2-18-26(30-35-11-12-36-30)20-5-6-22(43-20)28(32-39-15-16-40-32)24-8-7-23(44-24)27(31-37-13-14-38-31)21-4-3-19(42-21)25(17(1)41-18)29-33-9-10-34-29/h1-16,41,44H,(H,33,34)(H,35,36)(H,37,38)(H,39,40)/b25-17+,25-19+,26-18+,26-20+,27-21+,27-23+,28-22+,28-24+.
What are the key properties of 5,10,15,20-tetrakis(1H-imidazol-2-yl)-21,23-dihydroporphyrin?
5,10,15,20-tetrakis(1H-imidazol-2-yl)-21,23-dihydroporphyrin has a molecular weight of 574.61 g/mol, XLogP of 6.22, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(1H-imidazol-2-yl)-21,23-dihydroporphyrin is sourced from PubChem (CID 135536062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).