bis(3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate);platinum(4+)

C60H56N8O8Pt — CID 87265246

IUPACbis(3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate);platinum(4+)
SMILESCC1=C(CCC(=O)[O-])c2cc3nc(cc4[nH]c(cc4C)cc4[nH]c(cc1n2)cc4C)C(C)=C3CCC(=O)[O-].CC1=C(CCC(=O)[O-])c2cc3nc(cc4[nH]c(cc4C)cc4[nH]c(cc1n2)cc4C)C(C)=C3CCC(=O)[O-].[Pt+4]
InChIInChI=1S/2C30H30N4O4.Pt/c2*1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;/h2*9-14,31-32H,5-8H2,1-4H3,(H,35,36)(H,37,38);/q;;+4/p-4/b2*19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-;
InChIKeyPFOMMXXJMSFGCJ-SFPNKPENSA-J
MW1212.23 g/mol
LogP7.70
Rot. Bonds12

About bis(3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate);platinum(4+)

bis(3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate);platinum(4+) (PubChem CID 87265246) has the molecular formula C60H56N8O8Pt and a molecular weight of 1212.23 g/mol. Its IUPAC name is bis(3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate);platinum(4+).

Molecular Properties

Compound Namebis(3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate);platinum(4+)
PubChem CID87265246
Molecular FormulaC60H56N8O8Pt
Molecular Weight1212.23 g/mol
Exact Mass1211.39
IUPAC Namebis(3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate);platinum(4+)
SMILESCC1=C(CCC(=O)[O-])c2cc3nc(cc4[nH]c(cc4C)cc4[nH]c(cc1n2)cc4C)C(C)=C3CCC(=O)[O-].CC1=C(CCC(=O)[O-])c2cc3nc(cc4[nH]c(cc4C)cc4[nH]c(cc1n2)cc4C)C(C)=C3CCC(=O)[O-].[Pt+4]
InChIInChI=1S/2C30H30N4O4.Pt/c2*1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;/h2*9-14,31-32H,5-8H2,1-4H3,(H,35,36)(H,37,38);/q;;+4/p-4/b2*19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-;
InChIKeyPFOMMXXJMSFGCJ-SFPNKPENSA-J
XLogP7.70
TPSA275.24 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001212.23
LogP ≤ 57.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of bis(3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate);platinum(4+)?
The IUPAC name of bis(3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate);platinum(4+) (CID 87265246) is bis(3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate);platinum(4+).
What is the SMILES notation for bis(3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate);platinum(4+)?
The canonical SMILES for bis(3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate);platinum(4+) is CC1=C(CCC(=O)[O-])c2cc3nc(cc4[nH]c(cc4C)cc4[nH]c(cc1n2)cc4C)C(C)=C3CCC(=O)[O-].CC1=C(CCC(=O)[O-])c2cc3nc(cc4[nH]c(cc4C)cc4[nH]c(cc1n2)cc4C)C(C)=C3CCC(=O)[O-].[Pt+4].
What is the InChIKey of bis(3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate);platinum(4+)?
The InChIKey is PFOMMXXJMSFGCJ-SFPNKPENSA-J. The full InChI is InChI=1S/2C30H30N4O4.Pt/c2*1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;/h2*9-14,31-32H,5-8H2,1-4H3,(H,35,36)(H,37,38);/q;;+4/p-4/b2*19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-;.
What are the key properties of bis(3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate);platinum(4+)?
bis(3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate);platinum(4+) has a molecular weight of 1212.23 g/mol, XLogP of 7.70, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate);platinum(4+) is sourced from PubChem (CID 87265246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).