dizinc;5-[3-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]phenyl]-10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diide

C82H90N12Zn2 — CID 22835449

IUPACdizinc;5-[3-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]phenyl]-10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diide
SMILESCCCCCCCc1c2nc(c(-c3nccn3C)c3ccc([n-]3)c(CCCCCCC)c3nc(c(-c4cccc(-c5c6nc(c(CCCCCCC)c7ccc([n-]7)c(-c7nccn7C)c7nc(c(CCCCCCC)c8ccc5[n-]8)C=C7)C=C6)c4)c4ccc1[n-]4)C=C3)C=C2.[Zn+2].[Zn+2]
InChIInChI=1S/C82H90N12.2Zn/c1-7-11-15-19-23-30-57-61-34-42-69(85-61)77(70-43-35-62(86-70)58(31-24-20-16-12-8-2)66-39-47-74(90-66)79(73-46-38-65(57)89-73)81-83-50-52-93(81)5)55-28-27-29-56(54-55)78-71-44-36-63(87-71)59(32-25-21-17-13-9-3)67-40-48-75(91-67)80(82-84-51-53-94(82)6)76-49-41-68(92-76)60(33-26-22-18-14-10-4)64-37-45-72(78)88-64;;/h27-29,34-54H,7-26,30-33H2,1-6H3;;/q-4;2*+2/b61-57-,62-58-,63-59-,64-60-,65-57-,66-58-,67-59-,68-60-,77-69-,77-70-,78-71-,78-72-,79-73+,79-74+,80-75+,80-76+;;
InChIKeySNWYIKKQZKKNPL-QIDQRBMYSA-N
MW1374.49 g/mol
LogP20.32
Rot. Bonds28

About dizinc;5-[3-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]phenyl]-10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diide

dizinc;5-[3-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]phenyl]-10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diide (PubChem CID 22835449) has the molecular formula C82H90N12Zn2 and a molecular weight of 1374.49 g/mol. Its IUPAC name is dizinc;5-[3-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]phenyl]-10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diide.

Molecular Properties

Compound Namedizinc;5-[3-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]phenyl]-10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diide
PubChem CID22835449
Molecular FormulaC82H90N12Zn2
Molecular Weight1374.49 g/mol
Exact Mass1370.60
IUPAC Namedizinc;5-[3-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]phenyl]-10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diide
SMILESCCCCCCCc1c2nc(c(-c3nccn3C)c3ccc([n-]3)c(CCCCCCC)c3nc(c(-c4cccc(-c5c6nc(c(CCCCCCC)c7ccc([n-]7)c(-c7nccn7C)c7nc(c(CCCCCCC)c8ccc5[n-]8)C=C7)C=C6)c4)c4ccc1[n-]4)C=C3)C=C2.[Zn+2].[Zn+2]
InChIInChI=1S/C82H90N12.2Zn/c1-7-11-15-19-23-30-57-61-34-42-69(85-61)77(70-43-35-62(86-70)58(31-24-20-16-12-8-2)66-39-47-74(90-66)79(73-46-38-65(57)89-73)81-83-50-52-93(81)5)55-28-27-29-56(54-55)78-71-44-36-63(87-71)59(32-25-21-17-13-9-3)67-40-48-75(91-67)80(82-84-51-53-94(82)6)76-49-41-68(92-76)60(33-26-22-18-14-10-4)64-37-45-72(78)88-64;;/h27-29,34-54H,7-26,30-33H2,1-6H3;;/q-4;2*+2/b61-57-,62-58-,63-59-,64-60-,65-57-,66-58-,67-59-,68-60-,77-69-,77-70-,78-71-,78-72-,79-73+,79-74+,80-75+,80-76+;;
InChIKeySNWYIKKQZKKNPL-QIDQRBMYSA-N
XLogP20.32
TPSA143.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001374.49
LogP ≤ 520.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze dizinc;5-[3-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]phenyl]-10,20-diheptyl-15-(1-methylimidazol-2-yl)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
5,15-dibutyl-10,20-diphenylporphyrin-22,24-diide;nickel(2+)
CID 11114854
zinc [4-[10-[4-(hydroxymethyl)phenyl]-15,20-di(undecyl)porphyrin-23,24-diid-5-yl]phenyl]methanol
CID 15970558
zinc 5-bromo-15-butyl-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide
CID 56651772
zinc 5,10,15-triiodo-20-nonylporphyrin-22,24-diide
CID 58774140
zinc S-[10-[3-(10-acetylsulfanyldecoxy)-5-[15-(1-methylimidazol-2-yl)-10,20-bis(3-prop-2-enoxypropyl)porphyrin-22,24-diid-5-yl]phenoxy]decyl] ethanethioate
CID 58820747
zinc 5-butyl-10,20-bis(3-methoxyphenyl)-15-(2-phenylethynyl)porphyrin-22,24-diide
CID 56652116
zinc 5-nonyl-10,15,20-tris(2-pyridin-2-ylethynyl)porphyrin-23,24-diide
CID 10373171
trimethyl-[3-[3-[15-[3-[3-(trimethylazaniumyl)propoxy]phenyl]-10-undecyl-21,24-dihydroporphyrin-5-yl]phenoxy]propyl]azanium dichloride
CID 10328444
bis(1-methyl-2-phenylimidazole);pentane
CID 134304641
5-(1-methylimidazol-2-yl)-15-[5-[15-(1-methylimidazol-2-yl)-10,20-bis(3-prop-2-enoxypropyl)-21,23-dihydroporphyrin-5-yl]-3,4-dioctylthiophen-2-yl]-10,20-bis(3-prop-2-enoxypropyl)-21,23-dihydroporphyrin
CID 136744063
5-heptyl-10,15,20-tris(3-methoxyphenyl)-21,23-dihydroporphyrin
CID 136798653

Frequently Asked Questions

What is the IUPAC name of dizinc;5-[3-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]phenyl]-10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diide?
The IUPAC name of dizinc;5-[3-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]phenyl]-10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diide (CID 22835449) is dizinc;5-[3-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]phenyl]-10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diide.
What is the SMILES notation for dizinc;5-[3-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]phenyl]-10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diide?
The canonical SMILES for dizinc;5-[3-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]phenyl]-10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diide is CCCCCCCc1c2nc(c(-c3nccn3C)c3ccc([n-]3)c(CCCCCCC)c3nc(c(-c4cccc(-c5c6nc(c(CCCCCCC)c7ccc([n-]7)c(-c7nccn7C)c7nc(c(CCCCCCC)c8ccc5[n-]8)C=C7)C=C6)c4)c4ccc1[n-]4)C=C3)C=C2.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;5-[3-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]phenyl]-10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diide?
The InChIKey is SNWYIKKQZKKNPL-QIDQRBMYSA-N. The full InChI is InChI=1S/C82H90N12.2Zn/c1-7-11-15-19-23-30-57-61-34-42-69(85-61)77(70-43-35-62(86-70)58(31-24-20-16-12-8-2)66-39-47-74(90-66)79(73-46-38-65(57)89-73)81-83-50-52-93(81)5)55-28-27-29-56(54-55)78-71-44-36-63(87-71)59(32-25-21-17-13-9-3)67-40-48-75(91-67)80(82-84-51-53-94(82)6)76-49-41-68(92-76)60(33-26-22-18-14-10-4)64-37-45-72(78)88-64;;/h27-29,34-54H,7-26,30-33H2,1-6H3;;/q-4;2*+2/b61-57-,62-58-,63-59-,64-60-,65-57-,66-58-,67-59-,68-60-,77-69-,77-70-,78-71-,78-72-,79-73+,79-74+,80-75+,80-76+;;.
What are the key properties of dizinc;5-[3-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]phenyl]-10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diide?
dizinc;5-[3-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]phenyl]-10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diide has a molecular weight of 1374.49 g/mol, XLogP of 20.32, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;5-[3-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]phenyl]-10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diide is sourced from PubChem (CID 22835449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).