palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)

C184H140N20Pd+2 — CID 138402828

IUPACpalladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)
SMILESCc1ccc(-c2c3nc(c(-c4ccncc4)c4nc(c(-c5ccc(C)cc5)c5ccc([nH]5)c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.Cc1ccc(-c2c3nc(c(-c4ccncc4)c4nc(c(-c5ccc(C)cc5)c5ccc([nH]5)c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.Cc1ccc(-c2c3nc(c(-c4ccncc4)c4nc(c(-c5ccc(C)cc5)c5ccc([nH]5)c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.Cc1ccc(-c2c3nc(c(-c4ccncc4)c4nc(c(-c5ccc(C)cc5)c5ccc([nH]5)c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Pd+2]
InChIInChI=1S/4C46H35N5.Pd/c4*1-28-4-10-31(11-5-28)43-35-16-18-37(48-35)44(32-12-6-29(2)7-13-32)39-20-22-41(50-39)46(34-24-26-47-27-25-34)42-23-21-40(51-42)45(38-19-17-36(43)49-38)33-14-8-30(3)9-15-33;/h4*4-27,48-49H,1-3H3;/q;;;;+2/b4*43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-;
InChIKeyDQHRNQBBHIVFJT-DJBXPQPOSA-N
MW2737.70 g/mol
LogP46.57
Rot. Bonds16

About palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)

palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin) (PubChem CID 138402828) has the molecular formula C184H140N20Pd+2 and a molecular weight of 2737.70 g/mol. Its IUPAC name is palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin).

Molecular Properties

Compound Namepalladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)
PubChem CID138402828
Molecular FormulaC184H140N20Pd+2
Molecular Weight2737.70 g/mol
Exact Mass2735.06
IUPAC Namepalladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)
SMILESCc1ccc(-c2c3nc(c(-c4ccncc4)c4nc(c(-c5ccc(C)cc5)c5ccc([nH]5)c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.Cc1ccc(-c2c3nc(c(-c4ccncc4)c4nc(c(-c5ccc(C)cc5)c5ccc([nH]5)c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.Cc1ccc(-c2c3nc(c(-c4ccncc4)c4nc(c(-c5ccc(C)cc5)c5ccc([nH]5)c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.Cc1ccc(-c2c3nc(c(-c4ccncc4)c4nc(c(-c5ccc(C)cc5)c5ccc([nH]5)c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Pd+2]
InChIInChI=1S/4C46H35N5.Pd/c4*1-28-4-10-31(11-5-28)43-35-16-18-37(48-35)44(32-12-6-29(2)7-13-32)39-20-22-41(50-39)46(34-24-26-47-27-25-34)42-23-21-40(51-42)45(38-19-17-36(43)49-38)33-14-8-30(3)9-15-33;/h4*4-27,48-49H,1-3H3;/q;;;;+2/b4*43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-;
InChIKeyDQHRNQBBHIVFJT-DJBXPQPOSA-N
XLogP46.57
TPSA281.00 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002737.70
LogP ≤ 546.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin) with MolForge

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Related Compounds

nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
(dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135454674
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
dichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin
CID 15793969
5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin
CID 135467968
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
5,15-bis(4-ethynylphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin
CID 137274122
acetic acid;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin
CID 135956863
5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
CID 135590703
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
CID 101169394
4-[10,20-dipyridin-4-yl-15-(4-sulfophenyl)-21,22-dihydroporphyrin-5-yl]benzenesulfonic acid
CID 10259639

Frequently Asked Questions

What is the IUPAC name of palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)?
The IUPAC name of palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin) (CID 138402828) is palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin).
What is the SMILES notation for palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)?
The canonical SMILES for palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin) is Cc1ccc(-c2c3nc(c(-c4ccncc4)c4nc(c(-c5ccc(C)cc5)c5ccc([nH]5)c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.Cc1ccc(-c2c3nc(c(-c4ccncc4)c4nc(c(-c5ccc(C)cc5)c5ccc([nH]5)c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.Cc1ccc(-c2c3nc(c(-c4ccncc4)c4nc(c(-c5ccc(C)cc5)c5ccc([nH]5)c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.Cc1ccc(-c2c3nc(c(-c4ccncc4)c4nc(c(-c5ccc(C)cc5)c5ccc([nH]5)c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Pd+2].
What is the InChIKey of palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)?
The InChIKey is DQHRNQBBHIVFJT-DJBXPQPOSA-N. The full InChI is InChI=1S/4C46H35N5.Pd/c4*1-28-4-10-31(11-5-28)43-35-16-18-37(48-35)44(32-12-6-29(2)7-13-32)39-20-22-41(50-39)46(34-24-26-47-27-25-34)42-23-21-40(51-42)45(38-19-17-36(43)49-38)33-14-8-30(3)9-15-33;/h4*4-27,48-49H,1-3H3;/q;;;;+2/b4*43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-;.
What are the key properties of palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)?
palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin) has a molecular weight of 2737.70 g/mol, XLogP of 46.57, 16 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin) is sourced from PubChem (CID 138402828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).