2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[4-(6-phenyl-2-pyridinyl)butyl]pyridine;2-phenyl-6-[3-(6-phenyl-2-pyridinyl)propyl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine

C139H116F12N20Pt5 — CID 157173067

IUPAC2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[4-(6-phenyl-2-pyridinyl)butyl]pyridine;2-phenyl-6-[3-(6-phenyl-2-pyridinyl)propyl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
SMILESCC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.FC(F)(F)c1c[c-]n(-c2cccc(C3(c4cccc(-n5[c-]cc(C(F)(F)F)n5)n4)c4ccccc4-c4ccccc43)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cccc(CCCCc2cccc(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1cccc(CCCc2cccc(-c3[c-]cccc3)n2)n1
InChIInChI=1S/C36H44N4.C31H16F6N6.C26H22N2.C25H20N2.C21H14F6N6.5Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;32-30(33,34)25-15-17-42(40-25)27-13-5-11-23(38-27)29(21-9-3-1-7-19(21)20-8-2-4-10-22(20)29)24-12-6-14-28(39-24)43-18-16-26(41-43)31(35,36)37;1-3-11-21(12-4-1)25-19-9-17-23(27-25)15-7-8-16-24-18-10-20-26(28-24)22-13-5-2-6-14-22;1-3-10-20(11-4-1)24-18-8-16-22(26-24)14-7-15-23-17-9-19-25(27-23)21-12-5-2-6-13-21;1-19(2,13-5-3-7-17(28-13)32-11-9-15(30-32)20(22,23)24)14-6-4-8-18(29-14)33-12-10-16(31-33)21(25,26)27;;;;;/h17-20H,9-16H2,1-8H3;1-16H;1-6,9-11,13,17-20H,7-8,15-16H2;1-6,8-10,12,16-19H,7,14-15H2;3-10H,1-2H3;;;;;/q5*-2;5*+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;
InChIKeyQPUKMCIGQFBZPW-JGEYHCJJSA-N
MW3269.96 g/mol
LogP32.50
Rot. Bonds29

About 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[4-(6-phenyl-2-pyridinyl)butyl]pyridine;2-phenyl-6-[3-(6-phenyl-2-pyridinyl)propyl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine

2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[4-(6-phenyl-2-pyridinyl)butyl]pyridine;2-phenyl-6-[3-(6-phenyl-2-pyridinyl)propyl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine (PubChem CID 157173067) has the molecular formula C139H116F12N20Pt5 and a molecular weight of 3269.96 g/mol. Its IUPAC name is 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[4-(6-phenyl-2-pyridinyl)butyl]pyridine;2-phenyl-6-[3-(6-phenyl-2-pyridinyl)propyl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine.

Molecular Properties

Compound Name2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[4-(6-phenyl-2-pyridinyl)butyl]pyridine;2-phenyl-6-[3-(6-phenyl-2-pyridinyl)propyl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
PubChem CID157173067
Molecular FormulaC139H116F12N20Pt5
Molecular Weight3269.96 g/mol
Exact Mass3267.77
IUPAC Name2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[4-(6-phenyl-2-pyridinyl)butyl]pyridine;2-phenyl-6-[3-(6-phenyl-2-pyridinyl)propyl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
SMILESCC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.FC(F)(F)c1c[c-]n(-c2cccc(C3(c4cccc(-n5[c-]cc(C(F)(F)F)n5)n4)c4ccccc4-c4ccccc43)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cccc(CCCCc2cccc(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1cccc(CCCc2cccc(-c3[c-]cccc3)n2)n1
InChIInChI=1S/C36H44N4.C31H16F6N6.C26H22N2.C25H20N2.C21H14F6N6.5Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;32-30(33,34)25-15-17-42(40-25)27-13-5-11-23(38-27)29(21-9-3-1-7-19(21)20-8-2-4-10-22(20)29)24-12-6-14-28(39-24)43-18-16-26(41-43)31(35,36)37;1-3-11-21(12-4-1)25-19-9-17-23(27-25)15-7-8-16-24-18-10-20-26(28-24)22-13-5-2-6-14-22;1-3-10-20(11-4-1)24-18-8-16-22(26-24)14-7-15-23-17-9-19-25(27-23)21-12-5-2-6-13-21;1-19(2,13-5-3-7-17(28-13)32-11-9-15(30-32)20(22,23)24)14-6-4-8-18(29-14)33-12-10-16(31-33)21(25,26)27;;;;;/h17-20H,9-16H2,1-8H3;1-16H;1-6,9-11,13,17-20H,7-8,15-16H2;1-6,8-10,12,16-19H,7,14-15H2;3-10H,1-2H3;;;;;/q5*-2;5*+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;
InChIKeyQPUKMCIGQFBZPW-JGEYHCJJSA-N
XLogP32.50
TPSA228.38 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003269.96
LogP ≤ 532.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[4-(6-phenyl-2-pyridinyl)butyl]pyridine;2-phenyl-6-[3-(6-phenyl-2-pyridinyl)propyl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[4-(6-phenyl-2-pyridinyl)butyl]pyridine;2-phenyl-6-[3-(6-phenyl-2-pyridinyl)propyl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?
The IUPAC name of 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[4-(6-phenyl-2-pyridinyl)butyl]pyridine;2-phenyl-6-[3-(6-phenyl-2-pyridinyl)propyl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine (CID 157173067) is 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[4-(6-phenyl-2-pyridinyl)butyl]pyridine;2-phenyl-6-[3-(6-phenyl-2-pyridinyl)propyl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine.
What is the SMILES notation for 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[4-(6-phenyl-2-pyridinyl)butyl]pyridine;2-phenyl-6-[3-(6-phenyl-2-pyridinyl)propyl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?
The canonical SMILES for 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[4-(6-phenyl-2-pyridinyl)butyl]pyridine;2-phenyl-6-[3-(6-phenyl-2-pyridinyl)propyl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine is CC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.FC(F)(F)c1c[c-]n(-c2cccc(C3(c4cccc(-n5[c-]cc(C(F)(F)F)n5)n4)c4ccccc4-c4ccccc43)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cccc(CCCCc2cccc(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1cccc(CCCc2cccc(-c3[c-]cccc3)n2)n1.
What is the InChIKey of 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[4-(6-phenyl-2-pyridinyl)butyl]pyridine;2-phenyl-6-[3-(6-phenyl-2-pyridinyl)propyl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?
The InChIKey is QPUKMCIGQFBZPW-JGEYHCJJSA-N. The full InChI is InChI=1S/C36H44N4.C31H16F6N6.C26H22N2.C25H20N2.C21H14F6N6.5Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;32-30(33,34)25-15-17-42(40-25)27-13-5-11-23(38-27)29(21-9-3-1-7-19(21)20-8-2-4-10-22(20)29)24-12-6-14-28(39-24)43-18-16-26(41-43)31(35,36)37;1-3-11-21(12-4-1)25-19-9-17-23(27-25)15-7-8-16-24-18-10-20-26(28-24)22-13-5-2-6-14-22;1-3-10-20(11-4-1)24-18-8-16-22(26-24)14-7-15-23-17-9-19-25(27-23)21-12-5-2-6-13-21;1-19(2,13-5-3-7-17(28-13)32-11-9-15(30-32)20(22,23)24)14-6-4-8-18(29-14)33-12-10-16(31-33)21(25,26)27;;;;;/h17-20H,9-16H2,1-8H3;1-16H;1-6,9-11,13,17-20H,7-8,15-16H2;1-6,8-10,12,16-19H,7,14-15H2;3-10H,1-2H3;;;;;/q5*-2;5*+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;.
What are the key properties of 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[4-(6-phenyl-2-pyridinyl)butyl]pyridine;2-phenyl-6-[3-(6-phenyl-2-pyridinyl)propyl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?
2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[4-(6-phenyl-2-pyridinyl)butyl]pyridine;2-phenyl-6-[3-(6-phenyl-2-pyridinyl)propyl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine has a molecular weight of 3269.96 g/mol, XLogP of 32.50, 29 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[4-(6-phenyl-2-pyridinyl)butyl]pyridine;2-phenyl-6-[3-(6-phenyl-2-pyridinyl)propyl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine is sourced from PubChem (CID 157173067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).