5,10,15,20-tetrakis(1H-pyrazol-3-yl)-21,23-dihydroporphyrin;ytterbium

C32H22N12Yb — CID 159450753

IUPAC5,10,15,20-tetrakis(1H-pyrazol-3-yl)-21,23-dihydroporphyrin;ytterbium
SMILESC1=Cc2nc1c(-c1cc[nH]n1)c1ccc([nH]1)c(-c1cc[nH]n1)c1nc(c(-c3cc[nH]n3)c3ccc([nH]3)c2-c2cc[nH]n2)C=C1.[Yb]
InChIInChI=1S/C32H22N12.Yb/c1-2-18-30(26-10-14-34-42-26)20-5-6-22(39-20)32(28-12-16-36-44-28)24-8-7-23(40-24)31(27-11-15-35-43-27)21-4-3-19(38-21)29(17(1)37-18)25-9-13-33-41-25;/h1-16,37,40H,(H,33,41)(H,34,42)(H,35,43)(H,36,44);/b29-17+,29-19+,30-18+,30-20+,31-21+,31-23+,32-22+,32-24+;
InChIKeyLTIOMTNPZWMVRK-UNCOMETOSA-N
MW747.65 g/mol
LogP6.22
Rot. Bonds4

About 5,10,15,20-tetrakis(1H-pyrazol-3-yl)-21,23-dihydroporphyrin;ytterbium

5,10,15,20-tetrakis(1H-pyrazol-3-yl)-21,23-dihydroporphyrin;ytterbium (PubChem CID 159450753) has the molecular formula C32H22N12Yb and a molecular weight of 747.65 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(1H-pyrazol-3-yl)-21,23-dihydroporphyrin;ytterbium.

Molecular Properties

Compound Name5,10,15,20-tetrakis(1H-pyrazol-3-yl)-21,23-dihydroporphyrin;ytterbium
PubChem CID159450753
Molecular FormulaC32H22N12Yb
Molecular Weight747.65 g/mol
Exact Mass748.15
IUPAC Name5,10,15,20-tetrakis(1H-pyrazol-3-yl)-21,23-dihydroporphyrin;ytterbium
SMILESC1=Cc2nc1c(-c1cc[nH]n1)c1ccc([nH]1)c(-c1cc[nH]n1)c1nc(c(-c3cc[nH]n3)c3ccc([nH]3)c2-c2cc[nH]n2)C=C1.[Yb]
InChIInChI=1S/C32H22N12.Yb/c1-2-18-30(26-10-14-34-42-26)20-5-6-22(39-20)32(28-12-16-36-44-28)24-8-7-23(40-24)31(27-11-15-35-43-27)21-4-3-19(38-21)29(17(1)37-18)25-9-13-33-41-25;/h1-16,37,40H,(H,33,41)(H,34,42)(H,35,43)(H,36,44);/b29-17+,29-19+,30-18+,30-20+,31-21+,31-23+,32-22+,32-24+;
InChIKeyLTIOMTNPZWMVRK-UNCOMETOSA-N
XLogP6.22
TPSA172.08 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500747.65
LogP ≤ 56.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 5,10,15,20-tetrakis(1H-pyrazol-3-yl)-21,23-dihydroporphyrin;ytterbium 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

5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin;hydrochloride
CID 172772956
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
2,7,12-tris(2,3,4,5,6-pentafluorophenyl)-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(16),2,4,6,8,10,12,14-octaene
CID 102382676
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247
5,10,15-tris(2,6-dibromophenyl)-22,23-dihydro-21H-corrin
CID 137266912
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
iron(2+);5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin;dichloride
CID 175795325
5,10,15,20-tetrakis(4-iodophenyl)-21,23-dihydroporphyrin
CID 135546579
cobalt(2+);5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin
CID 175701182
iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin
CID 174785933
5,10,15,20-tetrakis(3-methylthiophen-2-yl)-21,23-dihydroporphyrin
CID 136734792
15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin
CID 137265355

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(1H-pyrazol-3-yl)-21,23-dihydroporphyrin;ytterbium?
The IUPAC name of 5,10,15,20-tetrakis(1H-pyrazol-3-yl)-21,23-dihydroporphyrin;ytterbium (CID 159450753) is 5,10,15,20-tetrakis(1H-pyrazol-3-yl)-21,23-dihydroporphyrin;ytterbium.
What is the SMILES notation for 5,10,15,20-tetrakis(1H-pyrazol-3-yl)-21,23-dihydroporphyrin;ytterbium?
The canonical SMILES for 5,10,15,20-tetrakis(1H-pyrazol-3-yl)-21,23-dihydroporphyrin;ytterbium is C1=Cc2nc1c(-c1cc[nH]n1)c1ccc([nH]1)c(-c1cc[nH]n1)c1nc(c(-c3cc[nH]n3)c3ccc([nH]3)c2-c2cc[nH]n2)C=C1.[Yb].
What is the InChIKey of 5,10,15,20-tetrakis(1H-pyrazol-3-yl)-21,23-dihydroporphyrin;ytterbium?
The InChIKey is LTIOMTNPZWMVRK-UNCOMETOSA-N. The full InChI is InChI=1S/C32H22N12.Yb/c1-2-18-30(26-10-14-34-42-26)20-5-6-22(39-20)32(28-12-16-36-44-28)24-8-7-23(40-24)31(27-11-15-35-43-27)21-4-3-19(38-21)29(17(1)37-18)25-9-13-33-41-25;/h1-16,37,40H,(H,33,41)(H,34,42)(H,35,43)(H,36,44);/b29-17+,29-19+,30-18+,30-20+,31-21+,31-23+,32-22+,32-24+;.
What are the key properties of 5,10,15,20-tetrakis(1H-pyrazol-3-yl)-21,23-dihydroporphyrin;ytterbium?
5,10,15,20-tetrakis(1H-pyrazol-3-yl)-21,23-dihydroporphyrin;ytterbium has a molecular weight of 747.65 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-pyrazol-3-yl)-21,23-dihydroporphyrin;ytterbium is sourced from PubChem (CID 159450753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).