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

C92H70Cl2N10Pt — CID 135484944

IUPACdichloroplatinum;bis(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.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
InChIInChI=1S/2C46H35N5.2ClH.Pt/c2*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;;;/h2*4-27,48,51H,1-3H3;2*1H;/q;;;;+2/p-2/b2*43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-;;;
InChIKeyZWYGCURPCVRJEX-JYKUOCCPSA-L
MW1581.63 g/mol
LogP24.66
Rot. Bonds8

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

dichloroplatinum;bis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin) (PubChem CID 135484944) has the molecular formula C92H70Cl2N10Pt and a molecular weight of 1581.63 g/mol. Its IUPAC name is dichloroplatinum;bis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin).

Molecular Properties

Compound Namedichloroplatinum;bis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin)
PubChem CID135484944
Molecular FormulaC92H70Cl2N10Pt
Molecular Weight1581.63 g/mol
Exact Mass1579.48
IUPAC Namedichloroplatinum;bis(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.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
InChIInChI=1S/2C46H35N5.2ClH.Pt/c2*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;;;/h2*4-27,48,51H,1-3H3;2*1H;/q;;;;+2/p-2/b2*43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-;;;
InChIKeyZWYGCURPCVRJEX-JYKUOCCPSA-L
XLogP24.66
TPSA140.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001581.63
LogP ≤ 524.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dichloroplatinum;bis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin)?
The IUPAC name of dichloroplatinum;bis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin) (CID 135484944) is dichloroplatinum;bis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin).
What is the SMILES notation for dichloroplatinum;bis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin)?
The canonical SMILES for dichloroplatinum;bis(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.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.
What is the InChIKey of dichloroplatinum;bis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin)?
The InChIKey is ZWYGCURPCVRJEX-JYKUOCCPSA-L. The full InChI is InChI=1S/2C46H35N5.2ClH.Pt/c2*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;;;/h2*4-27,48,51H,1-3H3;2*1H;/q;;;;+2/p-2/b2*43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-;;;.
What are the key properties of dichloroplatinum;bis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin)?
dichloroplatinum;bis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin) has a molecular weight of 1581.63 g/mol, XLogP of 24.66, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroplatinum;bis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin) is sourced from PubChem (CID 135484944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).