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

C76H62N8O4Zn2 — CID 71746166

IUPACdizinc;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
SMILESCCCCc1c2nc(c(-c3cccc(OC)c3)c3ccc([n-]3)c(-c3c4nc(c(-c5cccc(OC)c5)c5ccc([n-]5)c(CCCC)c5nc(c(-c6cccc(OC)c6)c6ccc3[n-]6)C=C5)C=C4)c3nc(c(-c4cccc(OC)c4)c4ccc1[n-]4)C=C3)C=C2.[Zn+2].[Zn+2]
InChIInChI=1S/C76H62N8O4.2Zn/c1-7-9-23-53-55-25-29-59(77-55)71(45-15-11-19-49(41-45)85-3)63-33-37-67(81-63)75(68-38-34-64(82-68)72(60-30-26-56(53)78-60)46-16-12-20-50(42-46)86-4)76-69-39-35-65(83-69)73(47-17-13-21-51(43-47)87-5)61-31-27-57(79-61)54(24-10-8-2)58-28-32-62(80-58)74(66-36-40-70(76)84-66)48-18-14-22-52(44-48)88-6;;/h11-22,25-44H,7-10,23-24H2,1-6H3;;/q-4;2*+2/b55-53-,56-53-,57-54-,58-54-,71-59-,71-63-,72-60-,72-64-,73-61-,73-65-,74-62-,74-66-,75-67+,75-68+,76-69+,76-70+;;
InChIKeyJOLBWRYJYJKSGI-NJJHUKDWSA-N
MW1282.16 g/mol
LogP17.19
Rot. Bonds15

About 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

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 (PubChem CID 71746166) has the molecular formula C76H62N8O4Zn2 and a molecular weight of 1282.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namedizinc;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
PubChem CID71746166
Molecular FormulaC76H62N8O4Zn2
Molecular Weight1282.16 g/mol
Exact Mass1278.35
IUPAC Namedizinc;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
SMILESCCCCc1c2nc(c(-c3cccc(OC)c3)c3ccc([n-]3)c(-c3c4nc(c(-c5cccc(OC)c5)c5ccc([n-]5)c(CCCC)c5nc(c(-c6cccc(OC)c6)c6ccc3[n-]6)C=C5)C=C4)c3nc(c(-c4cccc(OC)c4)c4ccc1[n-]4)C=C3)C=C2.[Zn+2].[Zn+2]
InChIInChI=1S/C76H62N8O4.2Zn/c1-7-9-23-53-55-25-29-59(77-55)71(45-15-11-19-49(41-45)85-3)63-33-37-67(81-63)75(68-38-34-64(82-68)72(60-30-26-56(53)78-60)46-16-12-20-50(42-46)86-4)76-69-39-35-65(83-69)73(47-17-13-21-51(43-47)87-5)61-31-27-57(79-61)54(24-10-8-2)58-28-32-62(80-58)74(66-36-40-70(76)84-66)48-18-14-22-52(44-48)88-6;;/h11-22,25-44H,7-10,23-24H2,1-6H3;;/q-4;2*+2/b55-53-,56-53-,57-54-,58-54-,71-59-,71-63-,72-60-,72-64-,73-61-,73-65-,74-62-,74-66-,75-67+,75-68+,76-69+,76-70+;;
InChIKeyJOLBWRYJYJKSGI-NJJHUKDWSA-N
XLogP17.19
TPSA144.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001282.16
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
5,15-dibutyl-10,20-diphenylporphyrin-22,24-diide;nickel(2+)
CID 11114854
5-heptyl-10,15,20-tris(3-methoxyphenyl)-21,23-dihydroporphyrin
CID 136798653
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
zinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide
CID 56654860
zinc [4-[10-[4-(hydroxymethyl)phenyl]-15,20-di(undecyl)porphyrin-23,24-diid-5-yl]phenyl]methanol
CID 15970558
copper 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
CID 4040225
2-butyl-5,10,15,20-tetraphenylporphyrin-22,24-diide;nickel(2+)
CID 10327576
dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide
CID 134908932
zinc 5,10,15-triiodo-20-nonylporphyrin-22,24-diide
CID 58774140
chlorocobalt(2+);5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
CID 155720992

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCc1c2nc(c(-c3cccc(OC)c3)c3ccc([n-]3)c(-c3c4nc(c(-c5cccc(OC)c5)c5ccc([n-]5)c(CCCC)c5nc(c(-c6cccc(OC)c6)c6ccc3[n-]6)C=C5)C=C4)c3nc(c(-c4cccc(OC)c4)c4ccc1[n-]4)C=C3)C=C2.[Zn+2].[Zn+2].
What is the InChIKey of 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?
The InChIKey is JOLBWRYJYJKSGI-NJJHUKDWSA-N. The full InChI is InChI=1S/C76H62N8O4.2Zn/c1-7-9-23-53-55-25-29-59(77-55)71(45-15-11-19-49(41-45)85-3)63-33-37-67(81-63)75(68-38-34-64(82-68)72(60-30-26-56(53)78-60)46-16-12-20-50(42-46)86-4)76-69-39-35-65(83-69)73(47-17-13-21-51(43-47)87-5)61-31-27-57(79-61)54(24-10-8-2)58-28-32-62(80-58)74(66-36-40-70(76)84-66)48-18-14-22-52(44-48)88-6;;/h11-22,25-44H,7-10,23-24H2,1-6H3;;/q-4;2*+2/b55-53-,56-53-,57-54-,58-54-,71-59-,71-63-,72-60-,72-64-,73-61-,73-65-,74-62-,74-66-,75-67+,75-68+,76-69+,76-70+;;.
What are the key properties of 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?
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 has a molecular weight of 1282.16 g/mol, XLogP of 17.19, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71746166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).