dizinc;5,10,15-triphenyl-20-[4-[2-[2-[2-[2-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]porphyrin-22,24-diide

C96H70N8O5Zn2 — CID 22835142

IUPACdizinc;5,10,15-triphenyl-20-[4-[2-[2-[2-[2-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]porphyrin-22,24-diide
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3ccc(OCCOCCOCCOCCOc4ccc(-c5c6nc(c(-c7ccccc7)c7ccc([n-]7)c(-c7ccccc7)c7nc(c(-c8ccccc8)c8ccc5[n-]8)C=C7)C=C6)cc4)cc3)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Zn+2].[Zn+2]
InChIInChI=1S/C96H70N8O5.2Zn/c1-7-19-63(20-8-1)89-73-39-43-77(97-73)91(65-23-11-3-12-24-65)81-47-51-85(101-81)95(86-52-48-82(102-86)92(66-25-13-4-14-26-66)78-44-40-74(89)98-78)69-31-35-71(36-32-69)108-61-59-106-57-55-105-56-58-107-60-62-109-72-37-33-70(34-38-72)96-87-53-49-83(103-87)93(67-27-15-5-16-28-67)79-45-41-75(99-79)90(64-21-9-2-10-22-64)76-42-46-80(100-76)94(68-29-17-6-18-30-68)84-50-54-88(96)104-84;;/h1-54H,55-62H2;;/q-4;2*+2/b89-73-,89-74-,90-75-,90-76-,91-77-,91-81-,92-78-,92-82-,93-79-,93-83-,94-80-,94-84-,95-85-,95-86-,96-87-,96-88-;;
InChIKeyKNHCPPROCWIWFP-FIUOGSANSA-N
MW1546.45 g/mol
LogP20.98
Rot. Bonds22

About dizinc;5,10,15-triphenyl-20-[4-[2-[2-[2-[2-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]porphyrin-22,24-diide

dizinc;5,10,15-triphenyl-20-[4-[2-[2-[2-[2-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]porphyrin-22,24-diide (PubChem CID 22835142) has the molecular formula C96H70N8O5Zn2 and a molecular weight of 1546.45 g/mol. Its IUPAC name is dizinc;5,10,15-triphenyl-20-[4-[2-[2-[2-[2-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]porphyrin-22,24-diide.

Molecular Properties

Compound Namedizinc;5,10,15-triphenyl-20-[4-[2-[2-[2-[2-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]porphyrin-22,24-diide
PubChem CID22835142
Molecular FormulaC96H70N8O5Zn2
Molecular Weight1546.45 g/mol
Exact Mass1542.41
IUPAC Namedizinc;5,10,15-triphenyl-20-[4-[2-[2-[2-[2-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]porphyrin-22,24-diide
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3ccc(OCCOCCOCCOCCOc4ccc(-c5c6nc(c(-c7ccccc7)c7ccc([n-]7)c(-c7ccccc7)c7nc(c(-c8ccccc8)c8ccc5[n-]8)C=C7)C=C6)cc4)cc3)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Zn+2].[Zn+2]
InChIInChI=1S/C96H70N8O5.2Zn/c1-7-19-63(20-8-1)89-73-39-43-77(97-73)91(65-23-11-3-12-24-65)81-47-51-85(101-81)95(86-52-48-82(102-86)92(66-25-13-4-14-26-66)78-44-40-74(89)98-78)69-31-35-71(36-32-69)108-61-59-106-57-55-105-56-58-107-60-62-109-72-37-33-70(34-38-72)96-87-53-49-83(103-87)93(67-27-15-5-16-28-67)79-45-41-75(99-79)90(64-21-9-2-10-22-64)76-42-46-80(100-76)94(68-29-17-6-18-30-68)84-50-54-88(96)104-84;;/h1-54H,55-62H2;;/q-4;2*+2/b89-73-,89-74-,90-75-,90-76-,91-77-,91-81-,92-78-,92-82-,93-79-,93-83-,94-80-,94-84-,95-85-,95-86-,96-87-,96-88-;;
InChIKeyKNHCPPROCWIWFP-FIUOGSANSA-N
XLogP20.98
TPSA154.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001546.45
LogP ≤ 520.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze dizinc;5,10,15-triphenyl-20-[4-[2-[2-[2-[2-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]porphyrin-22,24-diide with MolForge

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Related Compounds

Exeporfinium chloride
CID 135456185
5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrin
CID 135404412
5,15-Bis(4-methoxyphenyl)porphyrin
CID 135922930
2-[2,3,5,6-Tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol
CID 135960762
5-(4-Methoxyphenyl)-15-phenylporphyrin
CID 135404821
2-[4-(10,15,20-Triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethyl nitrate
CID 135869413
2-[3-[10,15,20-Tris[3-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol
CID 135923710
3-[10-[3-(2-Hydroxyethoxy)phenyl]-15-(3-hydroxyphenyl)-20-(4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 135960763
3-[15,20-Bis[3-(2-hydroxyethoxy)phenyl]-10-(4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 135960764
3-[15,20-Bis[3-(2-hydroxyethoxy)phenyl]-10-[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenol
CID 135960765
5,10,15,20-Tetrakis(4-carboxymethyloxyphenyl)-21H,23H-porphine
CID 16133335
5-(4-Methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135507716

Frequently Asked Questions

What is the IUPAC name of dizinc;5,10,15-triphenyl-20-[4-[2-[2-[2-[2-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]porphyrin-22,24-diide?
The IUPAC name of dizinc;5,10,15-triphenyl-20-[4-[2-[2-[2-[2-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]porphyrin-22,24-diide (CID 22835142) is dizinc;5,10,15-triphenyl-20-[4-[2-[2-[2-[2-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]porphyrin-22,24-diide.
What is the SMILES notation for dizinc;5,10,15-triphenyl-20-[4-[2-[2-[2-[2-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]porphyrin-22,24-diide?
The canonical SMILES for dizinc;5,10,15-triphenyl-20-[4-[2-[2-[2-[2-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]porphyrin-22,24-diide is C1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3ccc(OCCOCCOCCOCCOc4ccc(-c5c6nc(c(-c7ccccc7)c7ccc([n-]7)c(-c7ccccc7)c7nc(c(-c8ccccc8)c8ccc5[n-]8)C=C7)C=C6)cc4)cc3)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;5,10,15-triphenyl-20-[4-[2-[2-[2-[2-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]porphyrin-22,24-diide?
The InChIKey is KNHCPPROCWIWFP-FIUOGSANSA-N. The full InChI is InChI=1S/C96H70N8O5.2Zn/c1-7-19-63(20-8-1)89-73-39-43-77(97-73)91(65-23-11-3-12-24-65)81-47-51-85(101-81)95(86-52-48-82(102-86)92(66-25-13-4-14-26-66)78-44-40-74(89)98-78)69-31-35-71(36-32-69)108-61-59-106-57-55-105-56-58-107-60-62-109-72-37-33-70(34-38-72)96-87-53-49-83(103-87)93(67-27-15-5-16-28-67)79-45-41-75(99-79)90(64-21-9-2-10-22-64)76-42-46-80(100-76)94(68-29-17-6-18-30-68)84-50-54-88(96)104-84;;/h1-54H,55-62H2;;/q-4;2*+2/b89-73-,89-74-,90-75-,90-76-,91-77-,91-81-,92-78-,92-82-,93-79-,93-83-,94-80-,94-84-,95-85-,95-86-,96-87-,96-88-;;.
What are the key properties of dizinc;5,10,15-triphenyl-20-[4-[2-[2-[2-[2-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]porphyrin-22,24-diide?
dizinc;5,10,15-triphenyl-20-[4-[2-[2-[2-[2-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]porphyrin-22,24-diide has a molecular weight of 1546.45 g/mol, XLogP of 20.98, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;5,10,15-triphenyl-20-[4-[2-[2-[2-[2-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]porphyrin-22,24-diide is sourced from PubChem (CID 22835142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).