tetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride

C100H90Cl8N8Ru4-8 — CID 135955737

IUPACtetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride
SMILESC1=Cc2nc1c(-c1ccncc1)c1ccc([nH]1)c(-c1ccncc1)c1nc(c(-c3ccncc3)c3ccc([nH]3)c2-c2ccncc2)C=C1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccccc2)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru].[Ru].[Ru].[Ru]
InChIInChI=1S/C40H26N8.4C15H16.8ClH.4Ru/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;4*1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;;;;;;;;;;;;/h1-24,45,48H;4*3-12H,1-2H3;8*1H;;;;/p-8/b37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-;;;;;;;;;;;;;;;;
InChIKeyYBOCLIPLNWPDJW-VRRUNDLKSA-F
MW2091.78 g/mol
LogP2.83
Rot. Bonds12

About tetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride

tetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride (PubChem CID 135955737) has the molecular formula C100H90Cl8N8Ru4-8 and a molecular weight of 2091.78 g/mol. Its IUPAC name is tetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride.

Molecular Properties

Compound Nametetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride
PubChem CID135955737
Molecular FormulaC100H90Cl8N8Ru4-8
Molecular Weight2091.78 g/mol
Exact Mass2090.10
IUPAC Nametetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride
SMILESC1=Cc2nc1c(-c1ccncc1)c1ccc([nH]1)c(-c1ccncc1)c1nc(c(-c3ccncc3)c3ccc([nH]3)c2-c2ccncc2)C=C1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccccc2)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru].[Ru].[Ru].[Ru]
InChIInChI=1S/C40H26N8.4C15H16.8ClH.4Ru/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;4*1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;;;;;;;;;;;;/h1-24,45,48H;4*3-12H,1-2H3;8*1H;;;;/p-8/b37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-;;;;;;;;;;;;;;;;
InChIKeyYBOCLIPLNWPDJW-VRRUNDLKSA-F
XLogP2.83
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms120
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5002091.78
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride 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-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
5,10,15,20-tetrakis[4-[bis[4-[10,15,20-tris(4-propan-2-ylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]phenyl]-21,23-dihydroporphyrin
CID 169321841
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
acetic acid;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin
CID 135956863
palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)
CID 138402828
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
5,15-bis(4-ethynylphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin
CID 137274122
hydroperoxymethane;methane;5-phenyl-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin;tungsten
CID 176945350
10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin
CID 10627615
15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
CID 57355028
(dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135454674
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247

Frequently Asked Questions

What is the IUPAC name of tetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride?
The IUPAC name of tetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride (CID 135955737) is tetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride.
What is the SMILES notation for tetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride?
The canonical SMILES for tetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride is C1=Cc2nc1c(-c1ccncc1)c1ccc([nH]1)c(-c1ccncc1)c1nc(c(-c3ccncc3)c3ccc([nH]3)c2-c2ccncc2)C=C1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccccc2)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru].[Ru].[Ru].[Ru].
What is the InChIKey of tetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride?
The InChIKey is YBOCLIPLNWPDJW-VRRUNDLKSA-F. The full InChI is InChI=1S/C40H26N8.4C15H16.8ClH.4Ru/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;4*1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;;;;;;;;;;;;/h1-24,45,48H;4*3-12H,1-2H3;8*1H;;;;/p-8/b37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-;;;;;;;;;;;;;;;;.
What are the key properties of tetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride?
tetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride has a molecular weight of 2091.78 g/mol, XLogP of 2.83, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride is sourced from PubChem (CID 135955737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).