oxovanadium(2+);5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide

C56H52N4O13V — CID 6321152

IUPACoxovanadium(2+);5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide
SMILESCOc1cc(-c2c3nc(c(-c4cc(OC)c(OC)c(OC)c4)c4ccc([n-]4)c(-c4cc(OC)c(OC)c(OC)c4)c4ccc([n-]4)c(-c4cc(OC)c(OC)c(OC)c4)c4nc2C=C4)C=C3)cc(OC)c1OC.O=[V+2]
InChIInChI=1S/C56H52N4O12.O.V/c1-61-41-21-29(22-42(62-2)53(41)69-9)49-33-13-15-35(57-33)50(30-23-43(63-3)54(70-10)44(24-30)64-4)37-17-19-39(59-37)52(32-27-47(67-7)56(72-12)48(28-32)68-8)40-20-18-38(60-40)51(36-16-14-34(49)58-36)31-25-45(65-5)55(71-11)46(26-31)66-6;;/h13-28H,1-12H3;;/q-2;;+2/b49-33-,49-34-,50-35-,50-37-,51-36-,51-38-,52-39-,52-40-;;
InChIKeyKYCGPAWSJWUADC-FROCSNILSA-N
MW1039.99 g/mol
LogP10.56
Rot. Bonds16

About oxovanadium(2+);5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide

oxovanadium(2+);5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide (PubChem CID 6321152) has the molecular formula C56H52N4O13V and a molecular weight of 1039.99 g/mol. Its IUPAC name is oxovanadium(2+);5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide.

Molecular Properties

Compound Nameoxovanadium(2+);5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide
PubChem CID6321152
Molecular FormulaC56H52N4O13V
Molecular Weight1039.99 g/mol
Exact Mass1039.30
IUPAC Nameoxovanadium(2+);5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide
SMILESCOc1cc(-c2c3nc(c(-c4cc(OC)c(OC)c(OC)c4)c4ccc([n-]4)c(-c4cc(OC)c(OC)c(OC)c4)c4ccc([n-]4)c(-c4cc(OC)c(OC)c(OC)c4)c4nc2C=C4)C=C3)cc(OC)c1OC.O=[V+2]
InChIInChI=1S/C56H52N4O12.O.V/c1-61-41-21-29(22-42(62-2)53(41)69-9)49-33-13-15-35(57-33)50(30-23-43(63-3)54(70-10)44(24-30)64-4)37-17-19-39(59-37)52(32-27-47(67-7)56(72-12)48(28-32)68-8)40-20-18-38(60-40)51(36-16-14-34(49)58-36)31-25-45(65-5)55(71-11)46(26-31)66-6;;/h13-28H,1-12H3;;/q-2;;+2/b49-33-,49-34-,50-35-,50-37-,51-36-,51-38-,52-39-,52-40-;;
InChIKeyKYCGPAWSJWUADC-FROCSNILSA-N
XLogP10.56
TPSA181.81 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001039.99
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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Related Compounds

zinc 4-[10,15,20-tris(3,4,5-trimethoxyphenyl)porphyrin-22,24-diid-5-yl]benzoic acid
CID 58019362
chlorocobalt(2+);5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
CID 155720992
10,15,20-tris(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin
CID 11585878
osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
CID 10213009
copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,24-diide
CID 23649563
iron(2+);methyl 4-[10,15,20-tris(4-methoxycarbonylphenyl)porphyrin-22,24-diid-5-yl]benzoate
CID 3915024
copper 6,11,16-tris(3,5-difluorophenyl)-25,29-dimethoxy-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene
CID 56655308
cobalt(3+);cyclohexane;5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
CID 11125783
copper 5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diide
CID 12073185
copper 4-[10,15,20-tris(4-aminophenyl)porphyrin-22,24-diid-5-yl]aniline
CID 154728535
gold;methyl 4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)benzoate
CID 162468799
silver;5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 129011721

Frequently Asked Questions

What is the IUPAC name of oxovanadium(2+);5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide?
The IUPAC name of oxovanadium(2+);5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide (CID 6321152) is oxovanadium(2+);5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide.
What is the SMILES notation for oxovanadium(2+);5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide?
The canonical SMILES for oxovanadium(2+);5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide is COc1cc(-c2c3nc(c(-c4cc(OC)c(OC)c(OC)c4)c4ccc([n-]4)c(-c4cc(OC)c(OC)c(OC)c4)c4ccc([n-]4)c(-c4cc(OC)c(OC)c(OC)c4)c4nc2C=C4)C=C3)cc(OC)c1OC.O=[V+2].
What is the InChIKey of oxovanadium(2+);5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide?
The InChIKey is KYCGPAWSJWUADC-FROCSNILSA-N. The full InChI is InChI=1S/C56H52N4O12.O.V/c1-61-41-21-29(22-42(62-2)53(41)69-9)49-33-13-15-35(57-33)50(30-23-43(63-3)54(70-10)44(24-30)64-4)37-17-19-39(59-37)52(32-27-47(67-7)56(72-12)48(28-32)68-8)40-20-18-38(60-40)51(36-16-14-34(49)58-36)31-25-45(65-5)55(71-11)46(26-31)66-6;;/h13-28H,1-12H3;;/q-2;;+2/b49-33-,49-34-,50-35-,50-37-,51-36-,51-38-,52-39-,52-40-;;.
What are the key properties of oxovanadium(2+);5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide?
oxovanadium(2+);5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide has a molecular weight of 1039.99 g/mol, XLogP of 10.56, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for oxovanadium(2+);5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide is sourced from PubChem (CID 6321152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).