2-[3-[12-[3,5-bis(2-hydroxyethoxy)phenyl]-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]-5-(2-hydroxyethoxy)phenoxy]ethanol

C44H50N4O8 — CID 46888620

IUPAC2-[3-[12-[3,5-bis(2-hydroxyethoxy)phenyl]-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]-5-(2-hydroxyethoxy)phenoxy]ethanol
SMILESCC1(C)Cc2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)cc5-c1cc(OCCO)cc(OCCO)c1)CC4(C)C)cc3-c1cc(OCCO)cc(OCCO)c1
InChIInChI=1S/C44H50N4O8/c1-43(2)25-31-19-39-38(28-15-35(55-11-7-51)24-36(16-28)56-12-8-52)18-30(46-39)22-42-44(3,4)26-32(48-42)20-40-37(17-29(45-40)21-41(43)47-31)27-13-33(53-9-5-49)23-34(14-27)54-10-6-50/h13-24,45-46,49-52H,5-12,25-26H2,1-4H3/b29-21-,30-22-,31-19-,32-20-,39-19-,40-20-,41-21-,42-22-
InChIKeyIXNZVPVLEOVIKK-IUGHWGRXSA-N
MW762.90 g/mol
LogP6.17
Rot. Bonds14

About 2-[3-[12-[3,5-bis(2-hydroxyethoxy)phenyl]-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]-5-(2-hydroxyethoxy)phenoxy]ethanol

2-[3-[12-[3,5-bis(2-hydroxyethoxy)phenyl]-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]-5-(2-hydroxyethoxy)phenoxy]ethanol (PubChem CID 46888620) has the molecular formula C44H50N4O8 and a molecular weight of 762.90 g/mol. Its IUPAC name is 2-[3-[12-[3,5-bis(2-hydroxyethoxy)phenyl]-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]-5-(2-hydroxyethoxy)phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-[12-[3,5-bis(2-hydroxyethoxy)phenyl]-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]-5-(2-hydroxyethoxy)phenoxy]ethanol
PubChem CID46888620
Molecular FormulaC44H50N4O8
Molecular Weight762.90 g/mol
Exact Mass762.36
IUPAC Name2-[3-[12-[3,5-bis(2-hydroxyethoxy)phenyl]-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]-5-(2-hydroxyethoxy)phenoxy]ethanol
SMILESCC1(C)Cc2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)cc5-c1cc(OCCO)cc(OCCO)c1)CC4(C)C)cc3-c1cc(OCCO)cc(OCCO)c1
InChIInChI=1S/C44H50N4O8/c1-43(2)25-31-19-39-38(28-15-35(55-11-7-51)24-36(16-28)56-12-8-52)18-30(46-39)22-42-44(3,4)26-32(48-42)20-40-37(17-29(45-40)21-41(43)47-31)27-13-33(53-9-5-49)23-34(14-27)54-10-6-50/h13-24,45-46,49-52H,5-12,25-26H2,1-4H3/b29-21-,30-22-,31-19-,32-20-,39-19-,40-20-,41-21-,42-22-
InChIKeyIXNZVPVLEOVIKK-IUGHWGRXSA-N
XLogP6.17
TPSA175.20 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500762.90
LogP ≤ 56.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 2-[3-[12-[3,5-bis(2-hydroxyethoxy)phenyl]-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]-5-(2-hydroxyethoxy)phenoxy]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[12-[3,5-bis(2-hydroxyethoxy)phenyl]-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]-5-(2-hydroxyethoxy)phenoxy]ethanol?
The IUPAC name of 2-[3-[12-[3,5-bis(2-hydroxyethoxy)phenyl]-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]-5-(2-hydroxyethoxy)phenoxy]ethanol (CID 46888620) is 2-[3-[12-[3,5-bis(2-hydroxyethoxy)phenyl]-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]-5-(2-hydroxyethoxy)phenoxy]ethanol.
What is the SMILES notation for 2-[3-[12-[3,5-bis(2-hydroxyethoxy)phenyl]-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]-5-(2-hydroxyethoxy)phenoxy]ethanol?
The canonical SMILES for 2-[3-[12-[3,5-bis(2-hydroxyethoxy)phenyl]-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]-5-(2-hydroxyethoxy)phenoxy]ethanol is CC1(C)Cc2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)cc5-c1cc(OCCO)cc(OCCO)c1)CC4(C)C)cc3-c1cc(OCCO)cc(OCCO)c1.
What is the InChIKey of 2-[3-[12-[3,5-bis(2-hydroxyethoxy)phenyl]-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]-5-(2-hydroxyethoxy)phenoxy]ethanol?
The InChIKey is IXNZVPVLEOVIKK-IUGHWGRXSA-N. The full InChI is InChI=1S/C44H50N4O8/c1-43(2)25-31-19-39-38(28-15-35(55-11-7-51)24-36(16-28)56-12-8-52)18-30(46-39)22-42-44(3,4)26-32(48-42)20-40-37(17-29(45-40)21-41(43)47-31)27-13-33(53-9-5-49)23-34(14-27)54-10-6-50/h13-24,45-46,49-52H,5-12,25-26H2,1-4H3/b29-21-,30-22-,31-19-,32-20-,39-19-,40-20-,41-21-,42-22-.
What are the key properties of 2-[3-[12-[3,5-bis(2-hydroxyethoxy)phenyl]-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]-5-(2-hydroxyethoxy)phenoxy]ethanol?
2-[3-[12-[3,5-bis(2-hydroxyethoxy)phenyl]-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]-5-(2-hydroxyethoxy)phenoxy]ethanol has a molecular weight of 762.90 g/mol, XLogP of 6.17, 14 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[12-[3,5-bis(2-hydroxyethoxy)phenyl]-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]-5-(2-hydroxyethoxy)phenoxy]ethanol is sourced from PubChem (CID 46888620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).