ruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride

C44H22Cl10N4Ru — CID 135487438

IUPACruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride
SMILESClc1cccc(Cl)c1-c1c2nc(c(-c3c(Cl)cccc3Cl)c3ccc([nH]3)c(-c3c(Cl)cccc3Cl)c3nc(c(-c4c(Cl)cccc4Cl)c4ccc1[nH]4)C=C3)C=C2.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C44H22Cl8N4.2ClH.Ru/c45-21-5-1-6-22(46)37(21)41-29-13-15-31(53-29)42(38-23(47)7-2-8-24(38)48)33-17-19-35(55-33)44(40-27(51)11-4-12-28(40)52)36-20-18-34(56-36)43(32-16-14-30(41)54-32)39-25(49)9-3-10-26(39)50;;;/h1-20,53,56H;2*1H;/q;;;+2/p-2/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+;;;
InChIKeyCSVYKHZVPDJYOD-CXJMORQYSA-L
MW1062.29 g/mol
LogP10.56
Rot. Bonds4

About ruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride

ruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride (PubChem CID 135487438) has the molecular formula C44H22Cl10N4Ru and a molecular weight of 1062.29 g/mol. Its IUPAC name is ruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride.

Molecular Properties

Compound Nameruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride
PubChem CID135487438
Molecular FormulaC44H22Cl10N4Ru
Molecular Weight1062.29 g/mol
Exact Mass1057.78
IUPAC Nameruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride
SMILESClc1cccc(Cl)c1-c1c2nc(c(-c3c(Cl)cccc3Cl)c3ccc([nH]3)c(-c3c(Cl)cccc3Cl)c3nc(c(-c4c(Cl)cccc4Cl)c4ccc1[nH]4)C=C3)C=C2.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C44H22Cl8N4.2ClH.Ru/c45-21-5-1-6-22(46)37(21)41-29-13-15-31(53-29)42(38-23(47)7-2-8-24(38)48)33-17-19-35(55-33)44(40-27(51)11-4-12-28(40)52)36-20-18-34(56-36)43(32-16-14-30(41)54-32)39-25(49)9-3-10-26(39)50;;;/h1-20,53,56H;2*1H;/q;;;+2/p-2/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+;;;
InChIKeyCSVYKHZVPDJYOD-CXJMORQYSA-L
XLogP10.56
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001062.29
LogP ≤ 510.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze ruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride with MolForge

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Related Compounds

4-[10,15,20-tris(2,6-dichlorophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonyl chloride
CID 135749835
5,10,15-tris(2,6-dichlorophenyl)-20-(4-nitrophenyl)-21,23-dihydroporphyrin
CID 141330427
methyl 5,15-bis(2,6-dichlorophenyl)-22,24-dihydro-21H-corrin-10-carboxylate
CID 102084795
5,10,15,20-tetrakis(4-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin
CID 10796407
13-(2,6-dichlorophenyl)-21,22-dihydroporphyrin;5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin
CID 158167207
platinum(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin-22,24-diide
CID 177026078
iron(2+);5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin;dichloride
CID 175795325
iron(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin-22,24-diide
CID 140665842
5,10,15-tris(2,6-dibromophenyl)-22,23-dihydro-21H-corrin
CID 137266912
5,10,15,20-tetrakis[2-chloro-6-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethoxy)phenyl]-21,23-dihydroporphyrin
CID 100915687
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
copper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin
CID 174944569

Frequently Asked Questions

What is the IUPAC name of ruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride?
The IUPAC name of ruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride (CID 135487438) is ruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride.
What is the SMILES notation for ruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride?
The canonical SMILES for ruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride is Clc1cccc(Cl)c1-c1c2nc(c(-c3c(Cl)cccc3Cl)c3ccc([nH]3)c(-c3c(Cl)cccc3Cl)c3nc(c(-c4c(Cl)cccc4Cl)c4ccc1[nH]4)C=C3)C=C2.[Cl-].[Cl-].[Ru+2].
What is the InChIKey of ruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride?
The InChIKey is CSVYKHZVPDJYOD-CXJMORQYSA-L. The full InChI is InChI=1S/C44H22Cl8N4.2ClH.Ru/c45-21-5-1-6-22(46)37(21)41-29-13-15-31(53-29)42(38-23(47)7-2-8-24(38)48)33-17-19-35(55-33)44(40-27(51)11-4-12-28(40)52)36-20-18-34(56-36)43(32-16-14-30(41)54-32)39-25(49)9-3-10-26(39)50;;;/h1-20,53,56H;2*1H;/q;;;+2/p-2/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+;;;.
What are the key properties of ruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride?
ruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride has a molecular weight of 1062.29 g/mol, XLogP of 10.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride is sourced from PubChem (CID 135487438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).