2-methoxy-4-[10,15,20-tris(4-hydroxy-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol

C48H40N4O8 — CID 54126338

IUPAC2-methoxy-4-[10,15,20-tris(4-hydroxy-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
SMILESCOc1cc(C2=c3ccc([nH]3)=C(c3ccc(O)c(OC)c3)c3ccc([nH]3)C(c3ccc(O)c(OC)c3)=c3ccc([nH]3)=C(c3ccc(O)c(OC)c3)c3ccc2[nH]3)ccc1O
InChIInChI=1S/C48H40N4O8/c1-57-41-21-25(5-17-37(41)53)45-29-9-11-31(49-29)46(26-6-18-38(54)42(22-26)58-2)33-13-15-35(51-33)48(28-8-20-40(56)44(24-28)60-4)36-16-14-34(52-36)47(32-12-10-30(45)50-32)27-7-19-39(55)43(23-27)59-3/h5-24,49-56H,1-4H3
InChIKeyFHIMAOMULQSWOI-UHFFFAOYSA-N
MW800.87 g/mol
LogP5.16
Rot. Bonds8

About 2-methoxy-4-[10,15,20-tris(4-hydroxy-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol

2-methoxy-4-[10,15,20-tris(4-hydroxy-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol (PubChem CID 54126338) has the molecular formula C48H40N4O8 and a molecular weight of 800.87 g/mol. Its IUPAC name is 2-methoxy-4-[10,15,20-tris(4-hydroxy-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[10,15,20-tris(4-hydroxy-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
PubChem CID54126338
Molecular FormulaC48H40N4O8
Molecular Weight800.87 g/mol
Exact Mass800.28
IUPAC Name2-methoxy-4-[10,15,20-tris(4-hydroxy-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
SMILESCOc1cc(C2=c3ccc([nH]3)=C(c3ccc(O)c(OC)c3)c3ccc([nH]3)C(c3ccc(O)c(OC)c3)=c3ccc([nH]3)=C(c3ccc(O)c(OC)c3)c3ccc2[nH]3)ccc1O
InChIInChI=1S/C48H40N4O8/c1-57-41-21-25(5-17-37(41)53)45-29-9-11-31(49-29)46(26-6-18-38(54)42(22-26)58-2)33-13-15-35(51-33)48(28-8-20-40(56)44(24-28)60-4)36-16-14-34(52-36)47(32-12-10-30(45)50-32)27-7-19-39(55)43(23-27)59-3/h5-24,49-56H,1-4H3
InChIKeyFHIMAOMULQSWOI-UHFFFAOYSA-N
XLogP5.16
TPSA181.00 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500800.87
LogP ≤ 55.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-[10,15,20-Tris[3-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol
CID 135923710
3-[10-[3-(2-Hydroxyethoxy)phenyl]-15-(3-hydroxyphenyl)-20-(4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 135960763
3-[15,20-Bis[3-(2-hydroxyethoxy)phenyl]-10-(4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 135960764
3-[15,20-Bis[3-(2-hydroxyethoxy)phenyl]-10-[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenol
CID 135960765
4-(3-{2-[2-(3,4-Dimethoxy-phenyl)-1H-indol-3-yl]-ethylamino}-propyl)-phenol
CID 44365170
4-(6-{2-[2-(3,4-Dimethoxy-phenyl)-1H-indol-3-yl]-ethylamino}-hexyl)-phenol
CID 44365131
4-(5-{2-[2-(3,4-Dimethoxy-phenyl)-1H-indol-3-yl]-ethylamino}-pentyl)-phenol
CID 44365169
4-(2-{2-[2-(3,4-Dimethoxy-phenyl)-1H-indol-3-yl]-ethylamino}-ethyl)-phenol
CID 44365171
4-(4-{2-[2-(3,4-Dimethoxy-phenyl)-1H-indol-3-yl]-ethylamino}-butyl)-phenol
CID 44365616
5,10,15-Triphenyl-20-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin
CID 135508181
5,10,15,20-Tetrakis[3-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin
CID 135897813
CID 90976358
CID 90976358

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[10,15,20-tris(4-hydroxy-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol?
The IUPAC name of 2-methoxy-4-[10,15,20-tris(4-hydroxy-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol (CID 54126338) is 2-methoxy-4-[10,15,20-tris(4-hydroxy-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[10,15,20-tris(4-hydroxy-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol?
The canonical SMILES for 2-methoxy-4-[10,15,20-tris(4-hydroxy-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol is COc1cc(C2=c3ccc([nH]3)=C(c3ccc(O)c(OC)c3)c3ccc([nH]3)C(c3ccc(O)c(OC)c3)=c3ccc([nH]3)=C(c3ccc(O)c(OC)c3)c3ccc2[nH]3)ccc1O.
What is the InChIKey of 2-methoxy-4-[10,15,20-tris(4-hydroxy-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol?
The InChIKey is FHIMAOMULQSWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N4O8/c1-57-41-21-25(5-17-37(41)53)45-29-9-11-31(49-29)46(26-6-18-38(54)42(22-26)58-2)33-13-15-35(51-33)48(28-8-20-40(56)44(24-28)60-4)36-16-14-34(52-36)47(32-12-10-30(45)50-32)27-7-19-39(55)43(23-27)59-3/h5-24,49-56H,1-4H3.
What are the key properties of 2-methoxy-4-[10,15,20-tris(4-hydroxy-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol?
2-methoxy-4-[10,15,20-tris(4-hydroxy-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol has a molecular weight of 800.87 g/mol, XLogP of 5.16, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[10,15,20-tris(4-hydroxy-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol is sourced from PubChem (CID 54126338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).