trizinc;[3-[15-[3,5-bis(phosphanyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]-5-phosphanylphenyl]phosphane;[3-phosphanyl-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane;[3-phosphanyl-5-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane

C156H140N12P8Zn3 — CID 158704140

IUPACtrizinc;[3-[15-[3,5-bis(phosphanyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]-5-phosphanylphenyl]phosphane;[3-phosphanyl-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane;[3-phosphanyl-5-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane
SMILESCc1cc(C)c(-c2c3nc(c(-c4c(C)cc(C)cc4C)c4ccc([n-]4)c(-c4c(C)cc(C)cc4C)c4nc(c(-c5cc(P)cc(P)c5)c5ccc2[n-]5)C=C4)C=C3)c(C)c1.Cc1cc(C)c(-c2c3nc(c(-c4c(C)cc(C)cc4C)c4ccc([n-]4)c(-c4c(P)cccc4P)c4nc(c(-c5c(C)cc(C)cc5C)c5ccc2[n-]5)C=C4)C=C3)c(C)c1.Cc1cc(C)c(-c2c3nc(c(-c4cc(P)cc(P)c4)c4ccc([n-]4)c(-c4c(C)cc(C)cc4C)c4nc(c(-c5cc(P)cc(P)c5)c5ccc2[n-]5)C=C4)C=C3)c(C)c1.[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/2C53H48N4P2.C50H44N4P4.3Zn/c1-27-18-30(4)47(31(5)19-27)51-41-12-10-39(54-41)50(36-24-37(58)26-38(59)25-36)40-11-13-42(55-40)52(48-32(6)20-28(2)21-33(48)7)44-15-17-46(57-44)53(45-16-14-43(51)56-45)49-34(8)22-29(3)23-35(49)9;1-27-21-30(4)46(31(5)22-27)49-36-13-15-38(54-36)50(47-32(6)23-28(2)24-33(47)7)40-17-19-42(56-40)52(53-44(58)11-10-12-45(53)59)43-20-18-41(57-43)51(39-16-14-37(49)55-39)48-34(8)25-29(3)26-35(48)9;1-25-15-27(3)45(28(4)16-25)49-41-11-7-37(51-41)47(31-19-33(55)23-34(56)20-31)39-9-13-43(53-39)50(46-29(5)17-26(2)18-30(46)6)44-14-10-40(54-44)48(38-8-12-42(49)52-38)32-21-35(57)24-36(58)22-32;;;/h2*10-26H,58-59H2,1-9H3;7-24H,55-58H2,1-6H3;;;/q3*-2;3*+2/b50-39-,50-40-,51-41+,51-43+,52-42+,52-44+,53-45+,53-46+;49-36+,49-37+,50-38+,50-40+,51-39+,51-41+,52-42+,52-43+;47-37-,47-39-,48-38-,48-40-,49-41+,49-42+,50-43+,50-44+;;;
InChIKeyIHXFATRFMVQTGV-WOWQVRQQSA-N
MW2626.88 g/mol
LogP35.14
Rot. Bonds12

About trizinc;[3-[15-[3,5-bis(phosphanyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]-5-phosphanylphenyl]phosphane;[3-phosphanyl-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane;[3-phosphanyl-5-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane

trizinc;[3-[15-[3,5-bis(phosphanyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]-5-phosphanylphenyl]phosphane;[3-phosphanyl-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane;[3-phosphanyl-5-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane (PubChem CID 158704140) has the molecular formula C156H140N12P8Zn3 and a molecular weight of 2626.88 g/mol. Its IUPAC name is trizinc;[3-[15-[3,5-bis(phosphanyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]-5-phosphanylphenyl]phosphane;[3-phosphanyl-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane;[3-phosphanyl-5-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane.

Molecular Properties

Compound Nametrizinc;[3-[15-[3,5-bis(phosphanyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]-5-phosphanylphenyl]phosphane;[3-phosphanyl-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane;[3-phosphanyl-5-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane
PubChem CID158704140
Molecular FormulaC156H140N12P8Zn3
Molecular Weight2626.88 g/mol
Exact Mass2620.71
IUPAC Nametrizinc;[3-[15-[3,5-bis(phosphanyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]-5-phosphanylphenyl]phosphane;[3-phosphanyl-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane;[3-phosphanyl-5-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane
SMILESCc1cc(C)c(-c2c3nc(c(-c4c(C)cc(C)cc4C)c4ccc([n-]4)c(-c4c(C)cc(C)cc4C)c4nc(c(-c5cc(P)cc(P)c5)c5ccc2[n-]5)C=C4)C=C3)c(C)c1.Cc1cc(C)c(-c2c3nc(c(-c4c(C)cc(C)cc4C)c4ccc([n-]4)c(-c4c(P)cccc4P)c4nc(c(-c5c(C)cc(C)cc5C)c5ccc2[n-]5)C=C4)C=C3)c(C)c1.Cc1cc(C)c(-c2c3nc(c(-c4cc(P)cc(P)c4)c4ccc([n-]4)c(-c4c(C)cc(C)cc4C)c4nc(c(-c5cc(P)cc(P)c5)c5ccc2[n-]5)C=C4)C=C3)c(C)c1.[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/2C53H48N4P2.C50H44N4P4.3Zn/c1-27-18-30(4)47(31(5)19-27)51-41-12-10-39(54-41)50(36-24-37(58)26-38(59)25-36)40-11-13-42(55-40)52(48-32(6)20-28(2)21-33(48)7)44-15-17-46(57-44)53(45-16-14-43(51)56-45)49-34(8)22-29(3)23-35(49)9;1-27-21-30(4)46(31(5)22-27)49-36-13-15-38(54-36)50(47-32(6)23-28(2)24-33(47)7)40-17-19-42(56-40)52(53-44(58)11-10-12-45(53)59)43-20-18-41(57-43)51(39-16-14-37(49)55-39)48-34(8)25-29(3)26-35(48)9;1-25-15-27(3)45(28(4)16-25)49-41-11-7-37(51-41)47(31-19-33(55)23-34(56)20-31)39-9-13-43(53-39)50(46-29(5)17-26(2)18-30(46)6)44-14-10-40(54-44)48(38-8-12-42(49)52-38)32-21-35(57)24-36(58)22-32;;;/h2*10-26H,58-59H2,1-9H3;7-24H,55-58H2,1-6H3;;;/q3*-2;3*+2/b50-39-,50-40-,51-41+,51-43+,52-42+,52-44+,53-45+,53-46+;49-36+,49-37+,50-38+,50-40+,51-39+,51-41+,52-42+,52-43+;47-37-,47-39-,48-38-,48-40-,49-41+,49-42+,50-43+,50-44+;;;
InChIKeyIHXFATRFMVQTGV-WOWQVRQQSA-N
XLogP35.14
TPSA161.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms179
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002626.88
LogP ≤ 535.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze trizinc;[3-[15-[3,5-bis(phosphanyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]-5-phosphanylphenyl]phosphane;[3-phosphanyl-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane;[3-phosphanyl-5-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane with MolForge

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Related Compounds

zinc 5-(4-methylsulfanylphenyl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide
CID 10700756
zinc 5-(4-iodophenyl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diide
CID 16742094
hydrogen peroxide;oxomolybdenum;5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diide
CID 11468703
zinc [4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphonic acid
CID 58763684
osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
CID 10213009
zinc 5-(4-ethynyl-2,6-dimethylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-15-[4-[2-[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]porphyrin-22,24-diide
CID 22835279
zinc 2-methyl-4-[4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]phenyl]but-3-yn-2-ol
CID 16742250
dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide
CID 134908932
ethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
CID 71524389
zinc S-[[4-[15-(4-formylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methyl] ethanethioate
CID 11308976
zinc;carbanide;cyclopentane;5-(4-cyclopentylphenyl)-15-methylsulfanyl-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diide;iron(2+)
CID 162295005
zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol
CID 11274195

Frequently Asked Questions

What is the IUPAC name of trizinc;[3-[15-[3,5-bis(phosphanyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]-5-phosphanylphenyl]phosphane;[3-phosphanyl-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane;[3-phosphanyl-5-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane?
The IUPAC name of trizinc;[3-[15-[3,5-bis(phosphanyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]-5-phosphanylphenyl]phosphane;[3-phosphanyl-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane;[3-phosphanyl-5-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane (CID 158704140) is trizinc;[3-[15-[3,5-bis(phosphanyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]-5-phosphanylphenyl]phosphane;[3-phosphanyl-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane;[3-phosphanyl-5-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane.
What is the SMILES notation for trizinc;[3-[15-[3,5-bis(phosphanyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]-5-phosphanylphenyl]phosphane;[3-phosphanyl-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane;[3-phosphanyl-5-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane?
The canonical SMILES for trizinc;[3-[15-[3,5-bis(phosphanyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]-5-phosphanylphenyl]phosphane;[3-phosphanyl-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane;[3-phosphanyl-5-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane is Cc1cc(C)c(-c2c3nc(c(-c4c(C)cc(C)cc4C)c4ccc([n-]4)c(-c4c(C)cc(C)cc4C)c4nc(c(-c5cc(P)cc(P)c5)c5ccc2[n-]5)C=C4)C=C3)c(C)c1.Cc1cc(C)c(-c2c3nc(c(-c4c(C)cc(C)cc4C)c4ccc([n-]4)c(-c4c(P)cccc4P)c4nc(c(-c5c(C)cc(C)cc5C)c5ccc2[n-]5)C=C4)C=C3)c(C)c1.Cc1cc(C)c(-c2c3nc(c(-c4cc(P)cc(P)c4)c4ccc([n-]4)c(-c4c(C)cc(C)cc4C)c4nc(c(-c5cc(P)cc(P)c5)c5ccc2[n-]5)C=C4)C=C3)c(C)c1.[Zn+2].[Zn+2].[Zn+2].
What is the InChIKey of trizinc;[3-[15-[3,5-bis(phosphanyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]-5-phosphanylphenyl]phosphane;[3-phosphanyl-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane;[3-phosphanyl-5-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane?
The InChIKey is IHXFATRFMVQTGV-WOWQVRQQSA-N. The full InChI is InChI=1S/2C53H48N4P2.C50H44N4P4.3Zn/c1-27-18-30(4)47(31(5)19-27)51-41-12-10-39(54-41)50(36-24-37(58)26-38(59)25-36)40-11-13-42(55-40)52(48-32(6)20-28(2)21-33(48)7)44-15-17-46(57-44)53(45-16-14-43(51)56-45)49-34(8)22-29(3)23-35(49)9;1-27-21-30(4)46(31(5)22-27)49-36-13-15-38(54-36)50(47-32(6)23-28(2)24-33(47)7)40-17-19-42(56-40)52(53-44(58)11-10-12-45(53)59)43-20-18-41(57-43)51(39-16-14-37(49)55-39)48-34(8)25-29(3)26-35(48)9;1-25-15-27(3)45(28(4)16-25)49-41-11-7-37(51-41)47(31-19-33(55)23-34(56)20-31)39-9-13-43(53-39)50(46-29(5)17-26(2)18-30(46)6)44-14-10-40(54-44)48(38-8-12-42(49)52-38)32-21-35(57)24-36(58)22-32;;;/h2*10-26H,58-59H2,1-9H3;7-24H,55-58H2,1-6H3;;;/q3*-2;3*+2/b50-39-,50-40-,51-41+,51-43+,52-42+,52-44+,53-45+,53-46+;49-36+,49-37+,50-38+,50-40+,51-39+,51-41+,52-42+,52-43+;47-37-,47-39-,48-38-,48-40-,49-41+,49-42+,50-43+,50-44+;;;.
What are the key properties of trizinc;[3-[15-[3,5-bis(phosphanyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]-5-phosphanylphenyl]phosphane;[3-phosphanyl-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane;[3-phosphanyl-5-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane?
trizinc;[3-[15-[3,5-bis(phosphanyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]-5-phosphanylphenyl]phosphane;[3-phosphanyl-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane;[3-phosphanyl-5-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane has a molecular weight of 2626.88 g/mol, XLogP of 35.14, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trizinc;[3-[15-[3,5-bis(phosphanyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]-5-phosphanylphenyl]phosphane;[3-phosphanyl-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane;[3-phosphanyl-5-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phosphane is sourced from PubChem (CID 158704140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).