platinum;trifluoromethanesulfonate;tetrakis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin)

C185H140F3N20O3PtS- — CID 135440023

IUPACplatinum;trifluoromethanesulfonate;tetrakis(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.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.O=S(=O)([O-])C(F)(F)F.[Pt]
InChIInChI=1S/4C46H35N5.CHF3O3S.Pt/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;2-1(3,4)8(5,6)7;/h4*4-27,48,51H,1-3H3;(H,5,6,7);/p-1/b4*43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-;;
InChIKeyKSELCYQRPQFACK-BWICWHKJSA-M
MW2975.43 g/mol
LogP46.62
Rot. Bonds16

About platinum;trifluoromethanesulfonate;tetrakis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin)

platinum;trifluoromethanesulfonate;tetrakis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin) (PubChem CID 135440023) has the molecular formula C185H140F3N20O3PtS- and a molecular weight of 2975.43 g/mol. Its IUPAC name is platinum;trifluoromethanesulfonate;tetrakis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin).

Molecular Properties

Compound Nameplatinum;trifluoromethanesulfonate;tetrakis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin)
PubChem CID135440023
Molecular FormulaC185H140F3N20O3PtS-
Molecular Weight2975.43 g/mol
Exact Mass2973.07
IUPAC Nameplatinum;trifluoromethanesulfonate;tetrakis(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.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.O=S(=O)([O-])C(F)(F)F.[Pt]
InChIInChI=1S/4C46H35N5.CHF3O3S.Pt/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;2-1(3,4)8(5,6)7;/h4*4-27,48,51H,1-3H3;(H,5,6,7);/p-1/b4*43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-;;
InChIKeyKSELCYQRPQFACK-BWICWHKJSA-M
XLogP46.62
TPSA338.20 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002975.43
LogP ≤ 546.62
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of platinum;trifluoromethanesulfonate;tetrakis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin)?
The IUPAC name of platinum;trifluoromethanesulfonate;tetrakis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin) (CID 135440023) is platinum;trifluoromethanesulfonate;tetrakis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin).
What is the SMILES notation for platinum;trifluoromethanesulfonate;tetrakis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin)?
The canonical SMILES for platinum;trifluoromethanesulfonate;tetrakis(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.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.O=S(=O)([O-])C(F)(F)F.[Pt].
What is the InChIKey of platinum;trifluoromethanesulfonate;tetrakis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin)?
The InChIKey is KSELCYQRPQFACK-BWICWHKJSA-M. The full InChI is InChI=1S/4C46H35N5.CHF3O3S.Pt/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;2-1(3,4)8(5,6)7;/h4*4-27,48,51H,1-3H3;(H,5,6,7);/p-1/b4*43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-;;.
What are the key properties of platinum;trifluoromethanesulfonate;tetrakis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin)?
platinum;trifluoromethanesulfonate;tetrakis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin) has a molecular weight of 2975.43 g/mol, XLogP of 46.62, 16 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;trifluoromethanesulfonate;tetrakis(5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin) is sourced from PubChem (CID 135440023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).