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

C48H38N4O8 — CID 10996398

IUPAC2-methoxy-5-[10,15,20-tris(3-hydroxy-4-methoxyphenyl)-21,24-dihydroporphyrin-5-yl]phenol
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(OC)c(O)c4)c4ccc([nH]4)c(-c4ccc(OC)c(O)c4)c4ccc([nH]4)c(-c4ccc(OC)c(O)c4)c4nc2C=C4)C=C3)cc1O
InChIInChI=1S/C48H38N4O8/c1-57-41-17-5-25(21-37(41)53)45-29-9-11-31(49-29)46(26-6-18-42(58-2)38(54)22-26)33-13-15-35(51-33)48(28-8-20-44(60-4)40(56)24-28)36-16-14-34(52-36)47(32-12-10-30(45)50-32)27-7-19-43(59-3)39(55)23-27/h5-24,49-50,53-56H,1-4H3/b45-29-,45-30-,46-31-,46-33-,47-32-,47-34-,48-35-,48-36-
InChIKeyGFDUCRBIWCRDSV-XPLYENQYSA-N
MW798.85 g/mol
LogP10.18
Rot. Bonds8

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

2-methoxy-5-[10,15,20-tris(3-hydroxy-4-methoxyphenyl)-21,24-dihydroporphyrin-5-yl]phenol (PubChem CID 10996398) has the molecular formula C48H38N4O8 and a molecular weight of 798.85 g/mol. Its IUPAC name is 2-methoxy-5-[10,15,20-tris(3-hydroxy-4-methoxyphenyl)-21,24-dihydroporphyrin-5-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[10,15,20-tris(3-hydroxy-4-methoxyphenyl)-21,24-dihydroporphyrin-5-yl]phenol
PubChem CID10996398
Molecular FormulaC48H38N4O8
Molecular Weight798.85 g/mol
Exact Mass798.27
IUPAC Name2-methoxy-5-[10,15,20-tris(3-hydroxy-4-methoxyphenyl)-21,24-dihydroporphyrin-5-yl]phenol
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(OC)c(O)c4)c4ccc([nH]4)c(-c4ccc(OC)c(O)c4)c4ccc([nH]4)c(-c4ccc(OC)c(O)c4)c4nc2C=C4)C=C3)cc1O
InChIInChI=1S/C48H38N4O8/c1-57-41-17-5-25(21-37(41)53)45-29-9-11-31(49-29)46(26-6-18-42(58-2)38(54)22-26)33-13-15-35(51-33)48(28-8-20-44(60-4)40(56)24-28)36-16-14-34(52-36)47(32-12-10-30(45)50-32)27-7-19-43(59-3)39(55)23-27/h5-24,49-50,53-56H,1-4H3/b45-29-,45-30-,46-31-,46-33-,47-32-,47-34-,48-35-,48-36-
InChIKeyGFDUCRBIWCRDSV-XPLYENQYSA-N
XLogP10.18
TPSA175.20 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500798.85
LogP ≤ 510.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[10,15,20-tris(3-hydroxy-4-methoxyphenyl)-21,24-dihydroporphyrin-5-yl]phenol?
The IUPAC name of 2-methoxy-5-[10,15,20-tris(3-hydroxy-4-methoxyphenyl)-21,24-dihydroporphyrin-5-yl]phenol (CID 10996398) is 2-methoxy-5-[10,15,20-tris(3-hydroxy-4-methoxyphenyl)-21,24-dihydroporphyrin-5-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[10,15,20-tris(3-hydroxy-4-methoxyphenyl)-21,24-dihydroporphyrin-5-yl]phenol?
The canonical SMILES for 2-methoxy-5-[10,15,20-tris(3-hydroxy-4-methoxyphenyl)-21,24-dihydroporphyrin-5-yl]phenol is COc1ccc(-c2c3nc(c(-c4ccc(OC)c(O)c4)c4ccc([nH]4)c(-c4ccc(OC)c(O)c4)c4ccc([nH]4)c(-c4ccc(OC)c(O)c4)c4nc2C=C4)C=C3)cc1O.
What is the InChIKey of 2-methoxy-5-[10,15,20-tris(3-hydroxy-4-methoxyphenyl)-21,24-dihydroporphyrin-5-yl]phenol?
The InChIKey is GFDUCRBIWCRDSV-XPLYENQYSA-N. The full InChI is InChI=1S/C48H38N4O8/c1-57-41-17-5-25(21-37(41)53)45-29-9-11-31(49-29)46(26-6-18-42(58-2)38(54)22-26)33-13-15-35(51-33)48(28-8-20-44(60-4)40(56)24-28)36-16-14-34(52-36)47(32-12-10-30(45)50-32)27-7-19-43(59-3)39(55)23-27/h5-24,49-50,53-56H,1-4H3/b45-29-,45-30-,46-31-,46-33-,47-32-,47-34-,48-35-,48-36-.
What are the key properties of 2-methoxy-5-[10,15,20-tris(3-hydroxy-4-methoxyphenyl)-21,24-dihydroporphyrin-5-yl]phenol?
2-methoxy-5-[10,15,20-tris(3-hydroxy-4-methoxyphenyl)-21,24-dihydroporphyrin-5-yl]phenol has a molecular weight of 798.85 g/mol, XLogP of 10.18, 8 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[10,15,20-tris(3-hydroxy-4-methoxyphenyl)-21,24-dihydroporphyrin-5-yl]phenol is sourced from PubChem (CID 10996398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).