5,10,15,20-tetrakis(2,4-difluoro-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin

C48H32F8N4O4 — CID 91198287

IUPAC5,10,15,20-tetrakis(2,4-difluoro-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCOc1c(F)ccc(C2=c3ccc([nH]3)=C(c3ccc(F)c(OC)c3F)c3ccc([nH]3)C(c3ccc(F)c(OC)c3F)=c3ccc([nH]3)=C(c3ccc(F)c(OC)c3F)c3ccc2[nH]3)c1F
InChIInChI=1S/C48H32F8N4O4/c1-61-45-25(49)9-5-21(41(45)53)37-29-13-15-31(57-29)38(22-6-10-26(50)46(62-2)42(22)54)33-17-19-35(59-33)40(24-8-12-28(52)48(64-4)44(24)56)36-20-18-34(60-36)39(32-16-14-30(37)58-32)23-7-11-27(51)47(63-3)43(23)55/h5-20,57-60H,1-4H3
InChIKeyVSDRRVGKOXWZQU-UHFFFAOYSA-N
MW880.79 g/mol
LogP7.45
Rot. Bonds8

About 5,10,15,20-tetrakis(2,4-difluoro-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetrakis(2,4-difluoro-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 91198287) has the molecular formula C48H32F8N4O4 and a molecular weight of 880.79 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(2,4-difluoro-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(2,4-difluoro-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID91198287
Molecular FormulaC48H32F8N4O4
Molecular Weight880.79 g/mol
Exact Mass880.23
IUPAC Name5,10,15,20-tetrakis(2,4-difluoro-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCOc1c(F)ccc(C2=c3ccc([nH]3)=C(c3ccc(F)c(OC)c3F)c3ccc([nH]3)C(c3ccc(F)c(OC)c3F)=c3ccc([nH]3)=C(c3ccc(F)c(OC)c3F)c3ccc2[nH]3)c1F
InChIInChI=1S/C48H32F8N4O4/c1-61-45-25(49)9-5-21(41(45)53)37-29-13-15-31(57-29)38(22-6-10-26(50)46(62-2)42(22)54)33-17-19-35(59-33)40(24-8-12-28(52)48(64-4)44(24)56)36-20-18-34(60-36)39(32-16-14-30(37)58-32)23-7-11-27(51)47(63-3)43(23)55/h5-20,57-60H,1-4H3
InChIKeyVSDRRVGKOXWZQU-UHFFFAOYSA-N
XLogP7.45
TPSA100.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.79
LogP ≤ 57.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrin
CID 135404412
5,15-bis-(3-Methoxy-phenyl)-porphyrin
CID 135503060
5-(3-Methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin
CID 135438562
5-(3-Methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135503083
5-(4-Methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135507716
5,10,15,20-Tetrakis[3-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin
CID 135897813
CID 90976358
CID 90976358
meso-Tetra(3,4-dimethoxyphenyl) porphine
CID 135403277
21H,23H-Porphine, 5,10,15,20-tetrakis(2-methoxyphenyl)-
CID 135471660
5,10,15,20-Tetra(3-methoxyphenyl)porphyrin
CID 135542233
5,10,15,20-Tetrakis(3,5-dimethoxyphenyl)porphyrin
CID 135542238
4-(4-fluorophenyl)-2,3-bis(4-methoxyphenyl)-5-methyl-1H-pyrrole
CID 44267795

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(2,4-difluoro-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(2,4-difluoro-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin (CID 91198287) is 5,10,15,20-tetrakis(2,4-difluoro-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(2,4-difluoro-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(2,4-difluoro-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin is COc1c(F)ccc(C2=c3ccc([nH]3)=C(c3ccc(F)c(OC)c3F)c3ccc([nH]3)C(c3ccc(F)c(OC)c3F)=c3ccc([nH]3)=C(c3ccc(F)c(OC)c3F)c3ccc2[nH]3)c1F.
What is the InChIKey of 5,10,15,20-tetrakis(2,4-difluoro-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is VSDRRVGKOXWZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32F8N4O4/c1-61-45-25(49)9-5-21(41(45)53)37-29-13-15-31(57-29)38(22-6-10-26(50)46(62-2)42(22)54)33-17-19-35(59-33)40(24-8-12-28(52)48(64-4)44(24)56)36-20-18-34(60-36)39(32-16-14-30(37)58-32)23-7-11-27(51)47(63-3)43(23)55/h5-20,57-60H,1-4H3.
What are the key properties of 5,10,15,20-tetrakis(2,4-difluoro-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetrakis(2,4-difluoro-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 880.79 g/mol, XLogP of 7.45, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(2,4-difluoro-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 91198287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).