osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide

C48H36N4Os — CID 10213009

IUPACosmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([n-]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.[Os+2]
InChIInChI=1S/C48H36N4.Os/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35;/h5-28H,1-4H3;/q-2;+2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-;
InChIKeyARWNZTFUAFPRHY-NHZJRHMYSA-N
MW859.07 g/mol
LogP11.81
Rot. Bonds4

About osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide

osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide (PubChem CID 10213009) has the molecular formula C48H36N4Os and a molecular weight of 859.07 g/mol. Its IUPAC name is osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide.

Molecular Properties

Compound Nameosmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
PubChem CID10213009
Molecular FormulaC48H36N4Os
Molecular Weight859.07 g/mol
Exact Mass860.26
IUPAC Nameosmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([n-]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.[Os+2]
InChIInChI=1S/C48H36N4.Os/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35;/h5-28H,1-4H3;/q-2;+2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-;
InChIKeyARWNZTFUAFPRHY-NHZJRHMYSA-N
XLogP11.81
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.07
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide with MolForge

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Related Compounds

ethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
CID 71524389
zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol
CID 11274195
zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide
CID 11250914
molybdenum(2+);2-phenylethynylbenzene;5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
CID 5249671
copper 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
CID 4040225
nickel(2+);5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diide
CID 12073187
copper 5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diide
CID 12073185
copper 4-[10,15,20-tris(4-aminophenyl)porphyrin-22,24-diid-5-yl]aniline
CID 154728535
silver;5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 129011721
nickel(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 3732295
copper(1+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 5260273
manganese(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 636232

Frequently Asked Questions

What is the IUPAC name of osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide?
The IUPAC name of osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide (CID 10213009) is osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide.
What is the SMILES notation for osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide?
The canonical SMILES for osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide is Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([n-]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.[Os+2].
What is the InChIKey of osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide?
The InChIKey is ARWNZTFUAFPRHY-NHZJRHMYSA-N. The full InChI is InChI=1S/C48H36N4.Os/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35;/h5-28H,1-4H3;/q-2;+2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-;.
What are the key properties of osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide?
osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide has a molecular weight of 859.07 g/mol, XLogP of 11.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide is sourced from PubChem (CID 10213009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).