2-[10,15,20-tris(2-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol

C44H32N4O4 — CID 54266401

IUPAC2-[10,15,20-tris(2-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
SMILESOc1ccccc1C1=c2ccc([nH]2)=C(c2ccccc2O)c2ccc([nH]2)C(c2ccccc2O)=c2ccc([nH]2)=C(c2ccccc2O)c2ccc1[nH]2
InChIInChI=1S/C44H32N4O4/c49-37-13-5-1-9-25(37)41-29-17-19-31(45-29)42(26-10-2-6-14-38(26)50)33-21-23-35(47-33)44(28-12-4-8-16-40(28)52)36-24-22-34(48-36)43(32-20-18-30(41)46-32)27-11-3-7-15-39(27)51/h1-24,45-52H
InChIKeyUYCMHYFHGMCMNW-UHFFFAOYSA-N
MW680.76 g/mol
LogP5.12
Rot. Bonds4

About 2-[10,15,20-tris(2-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol

2-[10,15,20-tris(2-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol (PubChem CID 54266401) has the molecular formula C44H32N4O4 and a molecular weight of 680.76 g/mol. Its IUPAC name is 2-[10,15,20-tris(2-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol.

Molecular Properties

Compound Name2-[10,15,20-tris(2-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
PubChem CID54266401
Molecular FormulaC44H32N4O4
Molecular Weight680.76 g/mol
Exact Mass680.24
IUPAC Name2-[10,15,20-tris(2-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
SMILESOc1ccccc1C1=c2ccc([nH]2)=C(c2ccccc2O)c2ccc([nH]2)C(c2ccccc2O)=c2ccc([nH]2)=C(c2ccccc2O)c2ccc1[nH]2
InChIInChI=1S/C44H32N4O4/c49-37-13-5-1-9-25(37)41-29-17-19-31(45-29)42(26-10-2-6-14-38(26)50)33-21-23-35(47-33)44(28-12-4-8-16-40(28)52)36-24-22-34(48-36)43(32-20-18-30(41)46-32)27-11-3-7-15-39(27)51/h1-24,45-52H
InChIKeyUYCMHYFHGMCMNW-UHFFFAOYSA-N
XLogP5.12
TPSA144.08 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500680.76
LogP ≤ 55.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Analyze 2-[10,15,20-tris(2-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Temoporfin
CID 60751
5,10,15,20-Tetrakis(4-hydroxyphenyl)porphyrin
CID 135438030
4-(10,15,20-Triphenylporphyrin-5-yl)phenol
CID 135524769
4-[[5-[(5Z)-4-methoxy-5-[(5-methyl-4-pentyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-1H-pyrrol-2-yl]methyl]phenol
CID 25158709
3-[10,15,20-Tris(3-hydroxyphenyl)-21,24-dihydroporphyrin-5-yl]phenol
CID 122877
4-[15-(4-Hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 135409863
4-(15-Phenyl-21,23-dihydroporphyrin-5-yl)phenol
CID 135428027
3-(10,15,20-Triphenylporphyrin-5-yl)phenol
CID 135481457
2-[5,15-bis(2,3,4,5,6-pentafluorophenyl)-22,24-dihydro-21H-corrin-10-yl]phenol
CID 162656321
4-[[5-[(5Z)-5-[(4-heptyl-5-methyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-1H-pyrrol-2-yl]methyl]phenol;hydrochloride
CID 166626834
4-[[5-[(5Z)-5-[(4-hexyl-5-methyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-1H-pyrrol-2-yl]methyl]phenol;hydrochloride
CID 166629160
4-[[5-[(5Z)-4-methoxy-5-[(5-methyl-4-pentyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-1H-pyrrol-2-yl]methyl]phenol;hydrochloride
CID 166635490

Frequently Asked Questions

What is the IUPAC name of 2-[10,15,20-tris(2-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol?
The IUPAC name of 2-[10,15,20-tris(2-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol (CID 54266401) is 2-[10,15,20-tris(2-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol.
What is the SMILES notation for 2-[10,15,20-tris(2-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol?
The canonical SMILES for 2-[10,15,20-tris(2-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol is Oc1ccccc1C1=c2ccc([nH]2)=C(c2ccccc2O)c2ccc([nH]2)C(c2ccccc2O)=c2ccc([nH]2)=C(c2ccccc2O)c2ccc1[nH]2.
What is the InChIKey of 2-[10,15,20-tris(2-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol?
The InChIKey is UYCMHYFHGMCMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N4O4/c49-37-13-5-1-9-25(37)41-29-17-19-31(45-29)42(26-10-2-6-14-38(26)50)33-21-23-35(47-33)44(28-12-4-8-16-40(28)52)36-24-22-34(48-36)43(32-20-18-30(41)46-32)27-11-3-7-15-39(27)51/h1-24,45-52H.
What are the key properties of 2-[10,15,20-tris(2-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol?
2-[10,15,20-tris(2-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol has a molecular weight of 680.76 g/mol, XLogP of 5.12, 4 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10,15,20-tris(2-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol is sourced from PubChem (CID 54266401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).