dichloroplatinum;4-pyridin-4-ylpyridine;5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin

C56H43Cl2N7Pt — CID 135484948

IUPACdichloroplatinum;4-pyridin-4-ylpyridine;5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1.Cl[Pt]Cl.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C46H35N5.C10H8N2.2ClH.Pt/c1-28-4-10-31(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;1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;/h4-27,48,51H,1-3H3;1-8H;2*1H;/q;;;;+2/p-2/b43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-;;;;
InChIKeyGYCWRLDFDXHHLI-YPEXJPRUSA-L
MW1079.99 g/mol
LogP15.16
Rot. Bonds5

About dichloroplatinum;4-pyridin-4-ylpyridine;5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin

dichloroplatinum;4-pyridin-4-ylpyridine;5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin (PubChem CID 135484948) has the molecular formula C56H43Cl2N7Pt and a molecular weight of 1079.99 g/mol. Its IUPAC name is dichloroplatinum;4-pyridin-4-ylpyridine;5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin.

Molecular Properties

Compound Namedichloroplatinum;4-pyridin-4-ylpyridine;5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin
PubChem CID135484948
Molecular FormulaC56H43Cl2N7Pt
Molecular Weight1079.99 g/mol
Exact Mass1078.26
IUPAC Namedichloroplatinum;4-pyridin-4-ylpyridine;5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1.Cl[Pt]Cl.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C46H35N5.C10H8N2.2ClH.Pt/c1-28-4-10-31(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;1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;/h4-27,48,51H,1-3H3;1-8H;2*1H;/q;;;;+2/p-2/b43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-;;;;
InChIKeyGYCWRLDFDXHHLI-YPEXJPRUSA-L
XLogP15.16
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001079.99
LogP ≤ 515.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dichloroplatinum;4-pyridin-4-ylpyridine;5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin?
The IUPAC name of dichloroplatinum;4-pyridin-4-ylpyridine;5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin (CID 135484948) is dichloroplatinum;4-pyridin-4-ylpyridine;5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin.
What is the SMILES notation for dichloroplatinum;4-pyridin-4-ylpyridine;5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin?
The canonical SMILES for dichloroplatinum;4-pyridin-4-ylpyridine;5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin is Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1.Cl[Pt]Cl.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of dichloroplatinum;4-pyridin-4-ylpyridine;5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin?
The InChIKey is GYCWRLDFDXHHLI-YPEXJPRUSA-L. The full InChI is InChI=1S/C46H35N5.C10H8N2.2ClH.Pt/c1-28-4-10-31(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;1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;/h4-27,48,51H,1-3H3;1-8H;2*1H;/q;;;;+2/p-2/b43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-;;;;.
What are the key properties of dichloroplatinum;4-pyridin-4-ylpyridine;5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin?
dichloroplatinum;4-pyridin-4-ylpyridine;5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin has a molecular weight of 1079.99 g/mol, XLogP of 15.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroplatinum;4-pyridin-4-ylpyridine;5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin is sourced from PubChem (CID 135484948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).