oxovanadium(2+);(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20-dihydroporphyrin-21,23-diide

C48H38N4O5V — CID 139253410

IUPACoxovanadium(2+);(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20-dihydroporphyrin-21,23-diide
SMILESCOc1ccc(/C2=C3\C=CC([N-]3)C(c3ccc(OC)cc3)C3=N/C(=C(/c4ccc(OC)cc4)c4ccc([n-]4)/C(c4ccc(OC)cc4)=C4/C=CC2=N4)C=C3)cc1.O=[V+2]
InChIInChI=1S/C48H38N4O4.O.V/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31;;/h5-28,37,45H,1-4H3;;/q-2;;+2/b46-39-,47-40-,48-43-;;
InChIKeyGTDFURIMGOUNJJ-DPGOHCSSSA-N
MW801.80 g/mol
LogP9.62
Rot. Bonds8

About oxovanadium(2+);(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20-dihydroporphyrin-21,23-diide

oxovanadium(2+);(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20-dihydroporphyrin-21,23-diide (PubChem CID 139253410) has the molecular formula C48H38N4O5V and a molecular weight of 801.80 g/mol. Its IUPAC name is oxovanadium(2+);(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20-dihydroporphyrin-21,23-diide.

Molecular Properties

Compound Nameoxovanadium(2+);(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20-dihydroporphyrin-21,23-diide
PubChem CID139253410
Molecular FormulaC48H38N4O5V
Molecular Weight801.80 g/mol
Exact Mass801.23
IUPAC Nameoxovanadium(2+);(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20-dihydroporphyrin-21,23-diide
SMILESCOc1ccc(/C2=C3\C=CC([N-]3)C(c3ccc(OC)cc3)C3=N/C(=C(/c4ccc(OC)cc4)c4ccc([n-]4)/C(c4ccc(OC)cc4)=C4/C=CC2=N4)C=C3)cc1.O=[V+2]
InChIInChI=1S/C48H38N4O4.O.V/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31;;/h5-28,37,45H,1-4H3;;/q-2;;+2/b46-39-,47-40-,48-43-;;
InChIKeyGTDFURIMGOUNJJ-DPGOHCSSSA-N
XLogP9.62
TPSA106.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.80
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 158082360
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CID 70813775
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CID 177441942
zinc;4-[10,15-bis(4-carboxylatophenyl)-20-[4-(dioxidomethylidene)cyclohexa-2,5-dien-1-ylidene]porphyrin-24-id-5-yl]benzoate;hydron
CID 5488877
5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-1,20,21,23-tetrahydroporphyrin
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magnesium (4Z,9Z,15Z)-5-(4-tert-butylphenyl)-20-(4-ethylphenyl)-10-(4-methylphenyl)-15-phenyl-1,20-dihydroporphyrin-22,24-diium-21,23-diide
CID 140591670
6-methoxy-14,19,24-tris(4-methoxyphenyl)-12,29,30-triaza-28-azoniaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1(28),2,4,6,8,10,13(31),14,16,18(30),19,21,23(29),24,26-pentadecaene
CID 10260194
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Frequently Asked Questions

What is the IUPAC name of oxovanadium(2+);(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20-dihydroporphyrin-21,23-diide?
The IUPAC name of oxovanadium(2+);(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20-dihydroporphyrin-21,23-diide (CID 139253410) is oxovanadium(2+);(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20-dihydroporphyrin-21,23-diide.
What is the SMILES notation for oxovanadium(2+);(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20-dihydroporphyrin-21,23-diide?
The canonical SMILES for oxovanadium(2+);(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20-dihydroporphyrin-21,23-diide is COc1ccc(/C2=C3\C=CC([N-]3)C(c3ccc(OC)cc3)C3=N/C(=C(/c4ccc(OC)cc4)c4ccc([n-]4)/C(c4ccc(OC)cc4)=C4/C=CC2=N4)C=C3)cc1.O=[V+2].
What is the InChIKey of oxovanadium(2+);(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20-dihydroporphyrin-21,23-diide?
The InChIKey is GTDFURIMGOUNJJ-DPGOHCSSSA-N. The full InChI is InChI=1S/C48H38N4O4.O.V/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31;;/h5-28,37,45H,1-4H3;;/q-2;;+2/b46-39-,47-40-,48-43-;;.
What are the key properties of oxovanadium(2+);(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20-dihydroporphyrin-21,23-diide?
oxovanadium(2+);(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20-dihydroporphyrin-21,23-diide has a molecular weight of 801.80 g/mol, XLogP of 9.62, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxovanadium(2+);(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20-dihydroporphyrin-21,23-diide is sourced from PubChem (CID 139253410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).