5,8,10,12,13,15,20,23-octakis-phenyl-21H-porphyrin;platinum

C68H46N4Pt — CID 87789482

IUPAC5,8,10,12,13,15,20,23-octakis-phenyl-21H-porphyrin;platinum
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3c(-c4ccccc4)c(-c4ccccc4)c(c2-c2ccccc2)n3-c2ccccc2)C(c2ccccc2)=C1.[Pt]
InChIInChI=1S/C68H46N4.Pt/c1-9-25-46(26-10-1)54-45-59-61(48-29-13-3-14-30-48)57-42-41-55(69-57)60(47-27-11-2-12-28-47)56-43-44-58(70-56)62(49-31-15-4-16-32-49)67-63(50-33-17-5-18-34-50)64(51-35-19-6-20-36-51)68(72(67)53-39-23-8-24-40-53)65(66(54)71-59)52-37-21-7-22-38-52;/h1-45,69H;/b60-55-,60-56-,61-57-,61-59-,62-58-,66-65-,67-62-,68-65-;
InChIKeyHWBAQMSDIUOQPO-MXRRZWSASA-N
MW1114.22 g/mol
LogP17.54
Rot. Bonds8

About 5,8,10,12,13,15,20,23-octakis-phenyl-21H-porphyrin;platinum

5,8,10,12,13,15,20,23-octakis-phenyl-21H-porphyrin;platinum (PubChem CID 87789482) has the molecular formula C68H46N4Pt and a molecular weight of 1114.22 g/mol. Its IUPAC name is 5,8,10,12,13,15,20,23-octakis-phenyl-21H-porphyrin;platinum.

Molecular Properties

Compound Name5,8,10,12,13,15,20,23-octakis-phenyl-21H-porphyrin;platinum
PubChem CID87789482
Molecular FormulaC68H46N4Pt
Molecular Weight1114.22 g/mol
Exact Mass1113.34
IUPAC Name5,8,10,12,13,15,20,23-octakis-phenyl-21H-porphyrin;platinum
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3c(-c4ccccc4)c(-c4ccccc4)c(c2-c2ccccc2)n3-c2ccccc2)C(c2ccccc2)=C1.[Pt]
InChIInChI=1S/C68H46N4.Pt/c1-9-25-46(26-10-1)54-45-59-61(48-29-13-3-14-30-48)57-42-41-55(69-57)60(47-27-11-2-12-28-47)56-43-44-58(70-56)62(49-31-15-4-16-32-49)67-63(50-33-17-5-18-34-50)64(51-35-19-6-20-36-51)68(72(67)53-39-23-8-24-40-53)65(66(54)71-59)52-37-21-7-22-38-52;/h1-45,69H;/b60-55-,60-56-,61-57-,61-59-,62-58-,66-65-,67-62-,68-65-;
InChIKeyHWBAQMSDIUOQPO-MXRRZWSASA-N
XLogP17.54
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001114.22
LogP ≤ 517.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3,7,10,15,20,21-heptakis-phenyl-23H-porphyrin-5-yl)benzoic acid
CID 175979554
5-[2-(2,3,7,10,15,20,21-heptakis-phenyl-23H-porphyrin-5-yl)phenoxy]pentanoic acid
CID 175979549
7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 135414314
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
6-methyl-13,18,23-triphenyl-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14,16,18,20,22(28),23,25-tetradecaene
CID 136819212
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135425278
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
5,10,15-triphenyl-20-[6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenanthren-3-yl]-21,23-dihydroporphyrin
CID 101030343
21-methyl-2,7,12,17-tetraphenyl-21,24,25,26,27-pentazahexacyclo[16.5.1.13,6.18,11.113,16.019,23]heptacosa-1(24),2,4,6,8(26),9,11,13,15,17,19,22-dodecaene
CID 136739940
5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 101445463

Frequently Asked Questions

What is the IUPAC name of 5,8,10,12,13,15,20,23-octakis-phenyl-21H-porphyrin;platinum?
The IUPAC name of 5,8,10,12,13,15,20,23-octakis-phenyl-21H-porphyrin;platinum (CID 87789482) is 5,8,10,12,13,15,20,23-octakis-phenyl-21H-porphyrin;platinum.
What is the SMILES notation for 5,8,10,12,13,15,20,23-octakis-phenyl-21H-porphyrin;platinum?
The canonical SMILES for 5,8,10,12,13,15,20,23-octakis-phenyl-21H-porphyrin;platinum is C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3c(-c4ccccc4)c(-c4ccccc4)c(c2-c2ccccc2)n3-c2ccccc2)C(c2ccccc2)=C1.[Pt].
What is the InChIKey of 5,8,10,12,13,15,20,23-octakis-phenyl-21H-porphyrin;platinum?
The InChIKey is HWBAQMSDIUOQPO-MXRRZWSASA-N. The full InChI is InChI=1S/C68H46N4.Pt/c1-9-25-46(26-10-1)54-45-59-61(48-29-13-3-14-30-48)57-42-41-55(69-57)60(47-27-11-2-12-28-47)56-43-44-58(70-56)62(49-31-15-4-16-32-49)67-63(50-33-17-5-18-34-50)64(51-35-19-6-20-36-51)68(72(67)53-39-23-8-24-40-53)65(66(54)71-59)52-37-21-7-22-38-52;/h1-45,69H;/b60-55-,60-56-,61-57-,61-59-,62-58-,66-65-,67-62-,68-65-;.
What are the key properties of 5,8,10,12,13,15,20,23-octakis-phenyl-21H-porphyrin;platinum?
5,8,10,12,13,15,20,23-octakis-phenyl-21H-porphyrin;platinum has a molecular weight of 1114.22 g/mol, XLogP of 17.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,10,12,13,15,20,23-octakis-phenyl-21H-porphyrin;platinum is sourced from PubChem (CID 87789482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).