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

C66H43N4O3PZn — CID 25185713

IUPACzinc 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
SMILESCc1cc2ccccc2c2c1op(Oc1cccc(-c3c4nc(c(-c5ccccc5)c5ccc([n-]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[n-]6)C=C5)C=C4)c1)oc1c(C)cc3ccccc3c12.[Zn+2]
InChIInChI=1S/C66H43N4O3P.Zn/c1-40-37-45-23-12-14-27-49(45)63-64-50-28-15-13-24-46(50)38-41(2)66(64)73-74(72-65(40)63)71-48-26-16-25-47(39-48)62-57-35-33-55(69-57)60(43-19-8-4-9-20-43)53-31-29-51(67-53)59(42-17-6-3-7-18-42)52-30-32-54(68-52)61(44-21-10-5-11-22-44)56-34-36-58(62)70-56;/h3-39H,1-2H3;/q-2;+2/b59-51-,59-52-,60-53-,60-55-,61-54-,61-56-,62-57-,62-58-;
InChIKeyWLPONNRJYCXNON-FBIDIKIQSA-N
MW1036.46 g/mol
LogP17.95
Rot. Bonds6

About 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

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 (PubChem CID 25185713) has the molecular formula C66H43N4O3PZn and a molecular weight of 1036.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namezinc 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
PubChem CID25185713
Molecular FormulaC66H43N4O3PZn
Molecular Weight1036.46 g/mol
Exact Mass1034.24
IUPAC Namezinc 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
SMILESCc1cc2ccccc2c2c1op(Oc1cccc(-c3c4nc(c(-c5ccccc5)c5ccc([n-]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[n-]6)C=C5)C=C4)c1)oc1c(C)cc3ccccc3c12.[Zn+2]
InChIInChI=1S/C66H43N4O3P.Zn/c1-40-37-45-23-12-14-27-49(45)63-64-50-28-15-13-24-46(50)38-41(2)66(64)73-74(72-65(40)63)71-48-26-16-25-47(39-48)62-57-35-33-55(69-57)60(43-19-8-4-9-20-43)53-31-29-51(67-53)59(42-17-6-3-7-18-42)52-30-32-54(68-52)61(44-21-10-5-11-22-44)56-34-36-58(62)70-56;/h3-39H,1-2H3;/q-2;+2/b59-51-,59-52-,60-53-,60-55-,61-54-,61-56-,62-57-,62-58-;
InChIKeyWLPONNRJYCXNON-FBIDIKIQSA-N
XLogP17.95
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001036.46
LogP ≤ 517.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

zinc N-[3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-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-amine
CID 25185423
dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide
CID 134908932
silver;5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 129011721
chlororuthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 169046484
dicopper;6,11,16,25,30,35-hexakis-phenyl-40,41,44,45-tetraza-39,42,43,46-tetrazanidanonacyclo[34.2.1.12,5.17,10.112,15.117,20.121,24.126,29.131,34]hexatetraconta-1,3,5,7(45),8,10,12(44),13,15,17,19,21,23,25,27,29(41),30,32,34(40),35,37-henicosaene
CID 140772135
10,13,16-trimethyl-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-decaene
CID 23592736
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 2-methyl-5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 10032590
bis(acetonitrile);nickel(3+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 146014610
cobalt(3+);prop-1-en-2-olate;5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 50921065
ethanol;bis(ruthenium(2+));bis(5,10,15,20-tetraphenylporphyrin-22,24-diide);hydrate
CID 11982081
osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
CID 10213009

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2ccccc2c2c1op(Oc1cccc(-c3c4nc(c(-c5ccccc5)c5ccc([n-]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[n-]6)C=C5)C=C4)c1)oc1c(C)cc3ccccc3c12.[Zn+2].
What is the InChIKey of 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?
The InChIKey is WLPONNRJYCXNON-FBIDIKIQSA-N. The full InChI is InChI=1S/C66H43N4O3P.Zn/c1-40-37-45-23-12-14-27-49(45)63-64-50-28-15-13-24-46(50)38-41(2)66(64)73-74(72-65(40)63)71-48-26-16-25-47(39-48)62-57-35-33-55(69-57)60(43-19-8-4-9-20-43)53-31-29-51(67-53)59(42-17-6-3-7-18-42)52-30-32-54(68-52)61(44-21-10-5-11-22-44)56-34-36-58(62)70-56;/h3-39H,1-2H3;/q-2;+2/b59-51-,59-52-,60-53-,60-55-,61-54-,61-56-,62-57-,62-58-;.
What are the key properties of 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?
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 has a molecular weight of 1036.46 g/mol, XLogP of 17.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 25185713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).