zinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide

C46H46N4O8P2Zn — CID 56654860

IUPACzinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide
SMILESCCOP(=O)(/C=C/c1c2nc(c(-c3cccc(OC)c3)c3ccc([n-]3)c(/C=C/P(=O)(OCC)OCC)c3nc(c(-c4cccc(OC)c4)c4ccc1[n-]4)C=C3)C=C2)OCC.[Zn+2]
InChIInChI=1S/C46H46N4O8P2.Zn/c1-7-55-59(51,56-8-2)27-25-35-37-17-21-41(47-37)45(31-13-11-15-33(29-31)53-5)43-23-19-39(49-43)36(26-28-60(52,57-9-3)58-10-4)40-20-24-44(50-40)46(42-22-18-38(35)48-42)32-14-12-16-34(30-32)54-6;/h11-30H,7-10H2,1-6H3;/q-2;+2/b27-25+,28-26+,37-35-,38-35-,39-36-,40-36-,45-41-,45-43-,46-42-,46-44-;
InChIKeyYFXUOEHYVLRDFJ-VMKZSVTISA-N
MW910.23 g/mol
LogP11.74
Rot. Bonds16

About zinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide

zinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide (PubChem CID 56654860) has the molecular formula C46H46N4O8P2Zn and a molecular weight of 910.23 g/mol. Its IUPAC name is zinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide.

Molecular Properties

Compound Namezinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide
PubChem CID56654860
Molecular FormulaC46H46N4O8P2Zn
Molecular Weight910.23 g/mol
Exact Mass908.21
IUPAC Namezinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide
SMILESCCOP(=O)(/C=C/c1c2nc(c(-c3cccc(OC)c3)c3ccc([n-]3)c(/C=C/P(=O)(OCC)OCC)c3nc(c(-c4cccc(OC)c4)c4ccc1[n-]4)C=C3)C=C2)OCC.[Zn+2]
InChIInChI=1S/C46H46N4O8P2.Zn/c1-7-55-59(51,56-8-2)27-25-35-37-17-21-41(47-37)45(31-13-11-15-33(29-31)53-5)43-23-19-39(49-43)36(26-28-60(52,57-9-3)58-10-4)40-20-24-44(50-40)46(42-22-18-38(35)48-42)32-14-12-16-34(30-32)54-6;/h11-30H,7-10H2,1-6H3;/q-2;+2/b27-25+,28-26+,37-35-,38-35-,39-36-,40-36-,45-41-,45-43-,46-42-,46-44-;
InChIKeyYFXUOEHYVLRDFJ-VMKZSVTISA-N
XLogP11.74
TPSA143.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.23
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze zinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide with MolForge

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Related Compounds

dizinc;5-butyl-15-[15-butyl-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide
CID 71746166
zinc 5-bromo-15-butyl-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide
CID 56651772
zinc 5-butyl-10,20-bis(3-methoxyphenyl)-15-(2-phenylethynyl)porphyrin-22,24-diide
CID 56652116
copper 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
CID 4040225
copper 2-[carboxymethyl-[3-[10,15,20-tris[3-[bis(carboxymethyl)carbamoyloxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]carbonylamino]acetic acid
CID 74892811
zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide
CID 11250914
methyl (E)-3-[10,20-bis(3,5-ditert-butylphenyl)-15-[(E)-3-methoxy-3-oxoprop-1-enyl]porphyrin-22,24-diid-5-yl]prop-2-enoate;nickel(2+)
CID 11650908
nickel(2+);prop-2-ynyl (E)-3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)prop-2-enoate
CID 135872708
ethanol;bis(ruthenium(2+));bis(5,10,15,20-tetraphenylporphyrin-22,24-diide);hydrate
CID 11982081
zinc 5-[3-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]phenyl]-10,15,20-triphenylporphyrin-22,24-diide
CID 25185713
nickel(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 3732295
palladium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 58273727

Frequently Asked Questions

What is the IUPAC name of zinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide?
The IUPAC name of zinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide (CID 56654860) is zinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide.
What is the SMILES notation for zinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide?
The canonical SMILES for zinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide is CCOP(=O)(/C=C/c1c2nc(c(-c3cccc(OC)c3)c3ccc([n-]3)c(/C=C/P(=O)(OCC)OCC)c3nc(c(-c4cccc(OC)c4)c4ccc1[n-]4)C=C3)C=C2)OCC.[Zn+2].
What is the InChIKey of zinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide?
The InChIKey is YFXUOEHYVLRDFJ-VMKZSVTISA-N. The full InChI is InChI=1S/C46H46N4O8P2.Zn/c1-7-55-59(51,56-8-2)27-25-35-37-17-21-41(47-37)45(31-13-11-15-33(29-31)53-5)43-23-19-39(49-43)36(26-28-60(52,57-9-3)58-10-4)40-20-24-44(50-40)46(42-22-18-38(35)48-42)32-14-12-16-34(30-32)54-6;/h11-30H,7-10H2,1-6H3;/q-2;+2/b27-25+,28-26+,37-35-,38-35-,39-36-,40-36-,45-41-,45-43-,46-42-,46-44-;.
What are the key properties of zinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide?
zinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide has a molecular weight of 910.23 g/mol, XLogP of 11.74, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide is sourced from PubChem (CID 56654860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).