dizinc;5-[4-[2-[4-[10-[4-[4-(4-methylphenyl)phenyl]phenyl]-15-[4-[2-[4-[15-(4-methylsulfanylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]-20-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide

C165H119F5N12SZn2 — CID 58632338

IUPACdizinc;5-[4-[2-[4-[10-[4-[4-(4-methylphenyl)phenyl]phenyl]-15-[4-[2-[4-[15-(4-methylsulfanylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]-20-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide
SMILESCSc1ccc(-c2c3nc(c(-c4c(C)cc(C)cc4C)c4ccc([n-]4)c(-c4ccc(C#Cc5ccc(-c6c7nc(c(-c8c(F)c(F)c(F)c(F)c8F)c8ccc([nH]8)c(-c8ccc(C#Cc9ccc(-c%10c%11nc(c(-c%12c(C)cc(C)cc%12C)c%12ccc([n-]%12)c(-c%12c(C)cc(C)cc%12C)c%12nc(c(-c%13c(C)cc(C)cc%13C)c%13ccc%10[n-]%13)C=C%12)C=C%11)cc9)cc8)c8nc(c(-c9ccc(-c%10ccc(-c%11ccc(C)cc%11)cc%10)cc9)c9ccc6[nH]9)C=C8)C=C7)cc5)cc4)c4nc(c(-c5c(C)cc(C)cc5C)c5ccc2[n-]5)C=C4)C=C3)cc1.[Zn+2].[Zn+2]
InChIInChI=1S/C165H119F5N12S.2Zn/c1-88-18-32-108(33-19-88)109-42-44-110(45-43-109)111-46-48-116(49-47-111)152-121-56-54-119(171-121)148(112-34-24-104(25-35-112)20-22-106-28-38-114(39-29-106)150-123-58-66-131(173-123)154(143-94(7)78-89(2)79-95(143)8)133-70-62-129(177-133)153(117-50-52-118(183-17)53-51-117)130-63-71-134(178-130)155(132-67-59-124(150)174-132)144-96(9)80-90(3)81-97(144)10)127-64-72-141(179-127)159(160-161(166)163(168)165(170)164(169)162(160)167)142-73-65-128(180-142)149(120-55-57-122(152)172-120)113-36-26-105(27-37-113)21-23-107-30-40-115(41-31-107)151-125-60-68-135(175-125)156(145-98(11)82-91(4)83-99(145)12)137-74-76-139(181-137)158(147-102(15)86-93(6)87-103(147)16)140-77-75-138(182-140)157(136-69-61-126(151)176-136)146-100(13)84-92(5)85-101(146)14;;/h18-19,24-87,171,180H,1-17H3;;/q-4;2*+2/b148-119-,148-127-,149-120-,149-128-,150-123-,150-124-,151-125-,151-126-,152-121-,152-122-,153-129-,153-130-,154-131+,154-133+,155-132+,155-134+,156-135+,156-137+,157-136+,157-138+,158-139+,158-140+,159-141+,159-142+;;
InChIKeyMEYJKTHXNQXUAZ-PCVFVSGPSA-N
MW2527.69 g/mol
LogP41.59
Rot. Bonds15

About dizinc;5-[4-[2-[4-[10-[4-[4-(4-methylphenyl)phenyl]phenyl]-15-[4-[2-[4-[15-(4-methylsulfanylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]-20-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide

dizinc;5-[4-[2-[4-[10-[4-[4-(4-methylphenyl)phenyl]phenyl]-15-[4-[2-[4-[15-(4-methylsulfanylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]-20-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide (PubChem CID 58632338) has the molecular formula C165H119F5N12SZn2 and a molecular weight of 2527.69 g/mol. Its IUPAC name is dizinc;5-[4-[2-[4-[10-[4-[4-(4-methylphenyl)phenyl]phenyl]-15-[4-[2-[4-[15-(4-methylsulfanylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]-20-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide.

Molecular Properties

Compound Namedizinc;5-[4-[2-[4-[10-[4-[4-(4-methylphenyl)phenyl]phenyl]-15-[4-[2-[4-[15-(4-methylsulfanylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]-20-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide
PubChem CID58632338
Molecular FormulaC165H119F5N12SZn2
Molecular Weight2527.69 g/mol
Exact Mass2522.79
IUPAC Namedizinc;5-[4-[2-[4-[10-[4-[4-(4-methylphenyl)phenyl]phenyl]-15-[4-[2-[4-[15-(4-methylsulfanylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]-20-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide
SMILESCSc1ccc(-c2c3nc(c(-c4c(C)cc(C)cc4C)c4ccc([n-]4)c(-c4ccc(C#Cc5ccc(-c6c7nc(c(-c8c(F)c(F)c(F)c(F)c8F)c8ccc([nH]8)c(-c8ccc(C#Cc9ccc(-c%10c%11nc(c(-c%12c(C)cc(C)cc%12C)c%12ccc([n-]%12)c(-c%12c(C)cc(C)cc%12C)c%12nc(c(-c%13c(C)cc(C)cc%13C)c%13ccc%10[n-]%13)C=C%12)C=C%11)cc9)cc8)c8nc(c(-c9ccc(-c%10ccc(-c%11ccc(C)cc%11)cc%10)cc9)c9ccc6[nH]9)C=C8)C=C7)cc5)cc4)c4nc(c(-c5c(C)cc(C)cc5C)c5ccc2[n-]5)C=C4)C=C3)cc1.[Zn+2].[Zn+2]
InChIInChI=1S/C165H119F5N12S.2Zn/c1-88-18-32-108(33-19-88)109-42-44-110(45-43-109)111-46-48-116(49-47-111)152-121-56-54-119(171-121)148(112-34-24-104(25-35-112)20-22-106-28-38-114(39-29-106)150-123-58-66-131(173-123)154(143-94(7)78-89(2)79-95(143)8)133-70-62-129(177-133)153(117-50-52-118(183-17)53-51-117)130-63-71-134(178-130)155(132-67-59-124(150)174-132)144-96(9)80-90(3)81-97(144)10)127-64-72-141(179-127)159(160-161(166)163(168)165(170)164(169)162(160)167)142-73-65-128(180-142)149(120-55-57-122(152)172-120)113-36-26-105(27-37-113)21-23-107-30-40-115(41-31-107)151-125-60-68-135(175-125)156(145-98(11)82-91(4)83-99(145)12)137-74-76-139(181-137)158(147-102(15)86-93(6)87-103(147)16)140-77-75-138(182-140)157(136-69-61-126(151)176-136)146-100(13)84-92(5)85-101(146)14;;/h18-19,24-87,171,180H,1-17H3;;/q-4;2*+2/b148-119-,148-127-,149-120-,149-128-,150-123-,150-124-,151-125-,151-126-,152-121-,152-122-,153-129-,153-130-,154-131+,154-133+,155-132+,155-134+,156-135+,156-137+,157-136+,157-138+,158-139+,158-140+,159-141+,159-142+;;
InChIKeyMEYJKTHXNQXUAZ-PCVFVSGPSA-N
XLogP41.59
TPSA165.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms185
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002527.69
LogP ≤ 541.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze dizinc;5-[4-[2-[4-[10-[4-[4-(4-methylphenyl)phenyl]phenyl]-15-[4-[2-[4-[15-(4-methylsulfanylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]-20-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide with MolForge

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Related Compounds

zinc 5-(4-ethynyl-2,6-dimethylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-15-[4-[2-[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]porphyrin-22,24-diide
CID 22835279
zinc S-[4-[10,20-bis(2,4,6-trimethylphenyl)-15-[4-[2-[4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl] ethanethioate
CID 22834982
zinc 5-(4-methylsulfanylphenyl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide
CID 10700756
5-[4-(2-pyridin-4-ylethynyl)phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
CID 137254083
4-[2-[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]-N,N-bis[4-[2-[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]aniline
CID 102500799
dizinc;4-[15-[4-[2-[4-[15-[4-[2-[4-[15-(4-carboxyphenyl)-10,20-bis(trifluoromethyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]-2,6-dimethylphenyl]-10,20-bis(trifluoromethyl)-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]ethynyl]phenyl]-10,20-bis(trifluoromethyl)porphyrin-22,24-diid-5-yl]benzoic acid
CID 22835066
2-[4-[10,20-bis(2,3,4,5,6-pentafluorophenyl)-15-[4-(2-trimethylsilylethynyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl-trimethylsilane
CID 135481097
5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 100930941
zinc 2-methyl-4-[4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]phenyl]but-3-yn-2-ol
CID 16742250
trimethyl-[2-[4-[10-(2,4,6-trimethylphenyl)-20-[4-(2-trimethylsilylethynyl)phenyl]-15-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]silane
CID 135480486
4-[10,20-bis(4-cyanophenyl)-15-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]benzonitrile
CID 136814732
2-[3,5-dimethyl-4-[15-(4-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]ethynyl-trimethylsilane
CID 135829265

Frequently Asked Questions

What is the IUPAC name of dizinc;5-[4-[2-[4-[10-[4-[4-(4-methylphenyl)phenyl]phenyl]-15-[4-[2-[4-[15-(4-methylsulfanylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]-20-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide?
The IUPAC name of dizinc;5-[4-[2-[4-[10-[4-[4-(4-methylphenyl)phenyl]phenyl]-15-[4-[2-[4-[15-(4-methylsulfanylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]-20-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide (CID 58632338) is dizinc;5-[4-[2-[4-[10-[4-[4-(4-methylphenyl)phenyl]phenyl]-15-[4-[2-[4-[15-(4-methylsulfanylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]-20-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide.
What is the SMILES notation for dizinc;5-[4-[2-[4-[10-[4-[4-(4-methylphenyl)phenyl]phenyl]-15-[4-[2-[4-[15-(4-methylsulfanylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]-20-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide?
The canonical SMILES for dizinc;5-[4-[2-[4-[10-[4-[4-(4-methylphenyl)phenyl]phenyl]-15-[4-[2-[4-[15-(4-methylsulfanylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]-20-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide is CSc1ccc(-c2c3nc(c(-c4c(C)cc(C)cc4C)c4ccc([n-]4)c(-c4ccc(C#Cc5ccc(-c6c7nc(c(-c8c(F)c(F)c(F)c(F)c8F)c8ccc([nH]8)c(-c8ccc(C#Cc9ccc(-c%10c%11nc(c(-c%12c(C)cc(C)cc%12C)c%12ccc([n-]%12)c(-c%12c(C)cc(C)cc%12C)c%12nc(c(-c%13c(C)cc(C)cc%13C)c%13ccc%10[n-]%13)C=C%12)C=C%11)cc9)cc8)c8nc(c(-c9ccc(-c%10ccc(-c%11ccc(C)cc%11)cc%10)cc9)c9ccc6[nH]9)C=C8)C=C7)cc5)cc4)c4nc(c(-c5c(C)cc(C)cc5C)c5ccc2[n-]5)C=C4)C=C3)cc1.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;5-[4-[2-[4-[10-[4-[4-(4-methylphenyl)phenyl]phenyl]-15-[4-[2-[4-[15-(4-methylsulfanylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]-20-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide?
The InChIKey is MEYJKTHXNQXUAZ-PCVFVSGPSA-N. The full InChI is InChI=1S/C165H119F5N12S.2Zn/c1-88-18-32-108(33-19-88)109-42-44-110(45-43-109)111-46-48-116(49-47-111)152-121-56-54-119(171-121)148(112-34-24-104(25-35-112)20-22-106-28-38-114(39-29-106)150-123-58-66-131(173-123)154(143-94(7)78-89(2)79-95(143)8)133-70-62-129(177-133)153(117-50-52-118(183-17)53-51-117)130-63-71-134(178-130)155(132-67-59-124(150)174-132)144-96(9)80-90(3)81-97(144)10)127-64-72-141(179-127)159(160-161(166)163(168)165(170)164(169)162(160)167)142-73-65-128(180-142)149(120-55-57-122(152)172-120)113-36-26-105(27-37-113)21-23-107-30-40-115(41-31-107)151-125-60-68-135(175-125)156(145-98(11)82-91(4)83-99(145)12)137-74-76-139(181-137)158(147-102(15)86-93(6)87-103(147)16)140-77-75-138(182-140)157(136-69-61-126(151)176-136)146-100(13)84-92(5)85-101(146)14;;/h18-19,24-87,171,180H,1-17H3;;/q-4;2*+2/b148-119-,148-127-,149-120-,149-128-,150-123-,150-124-,151-125-,151-126-,152-121-,152-122-,153-129-,153-130-,154-131+,154-133+,155-132+,155-134+,156-135+,156-137+,157-136+,157-138+,158-139+,158-140+,159-141+,159-142+;;.
What are the key properties of dizinc;5-[4-[2-[4-[10-[4-[4-(4-methylphenyl)phenyl]phenyl]-15-[4-[2-[4-[15-(4-methylsulfanylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]-20-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide?
dizinc;5-[4-[2-[4-[10-[4-[4-(4-methylphenyl)phenyl]phenyl]-15-[4-[2-[4-[15-(4-methylsulfanylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]-20-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide has a molecular weight of 2527.69 g/mol, XLogP of 41.59, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;5-[4-[2-[4-[10-[4-[4-(4-methylphenyl)phenyl]phenyl]-15-[4-[2-[4-[15-(4-methylsulfanylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]phenyl]-20-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide is sourced from PubChem (CID 58632338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).