2,3,7,8,12,13,17,18-octaethyl-15-methoxy-21,22-dihydroporphyrin

C37H48N4O — CID 59867162

IUPAC2,3,7,8,12,13,17,18-octaethyl-15-methoxy-21,22-dihydroporphyrin
SMILESCCC1=C(CC)c2nc1cc1[nH]c(cc3[nH]c(cc4nc(c2OC)C(CC)=C4CC)c(CC)c3CC)c(CC)c1CC
InChIInChI=1S/C37H48N4O/c1-10-21-23(12-3)31-19-33-25(14-5)27(16-7)35(40-33)37(42-9)36-28(17-8)26(15-6)34(41-36)20-32-24(13-4)22(11-2)30(39-32)18-29(21)38-31/h18-20,38-39H,10-17H2,1-9H3/b29-18-,30-18-,31-19-,32-20-,33-19-,34-20-,37-35+,37-36+
InChIKeyDWHNVZNODCFEIG-YVBMZAFNSA-N
MW564.82 g/mol
LogP10.03
Rot. Bonds9

About 2,3,7,8,12,13,17,18-octaethyl-15-methoxy-21,22-dihydroporphyrin

2,3,7,8,12,13,17,18-octaethyl-15-methoxy-21,22-dihydroporphyrin (PubChem CID 59867162) has the molecular formula C37H48N4O and a molecular weight of 564.82 g/mol. Its IUPAC name is 2,3,7,8,12,13,17,18-octaethyl-15-methoxy-21,22-dihydroporphyrin.

Molecular Properties

Compound Name2,3,7,8,12,13,17,18-octaethyl-15-methoxy-21,22-dihydroporphyrin
PubChem CID59867162
Molecular FormulaC37H48N4O
Molecular Weight564.82 g/mol
Exact Mass564.38
IUPAC Name2,3,7,8,12,13,17,18-octaethyl-15-methoxy-21,22-dihydroporphyrin
SMILESCCC1=C(CC)c2nc1cc1[nH]c(cc3[nH]c(cc4nc(c2OC)C(CC)=C4CC)c(CC)c3CC)c(CC)c1CC
InChIInChI=1S/C37H48N4O/c1-10-21-23(12-3)31-19-33-25(14-5)27(16-7)35(40-33)37(42-9)36-28(17-8)26(15-6)34(41-36)20-32-24(13-4)22(11-2)30(39-32)18-29(21)38-31/h18-20,38-39H,10-17H2,1-9H3/b29-18-,30-18-,31-19-,32-20-,33-19-,34-20-,37-35+,37-36+
InChIKeyDWHNVZNODCFEIG-YVBMZAFNSA-N
XLogP10.03
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.82
LogP ≤ 510.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3,7,8,12,13,17,18-octaethyl-15-methoxy-21,22-dihydroporphyrin 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 2,3,7,8,12,13,17,18-octaethyl-15-methoxy-21,22-dihydroporphyrin?
The IUPAC name of 2,3,7,8,12,13,17,18-octaethyl-15-methoxy-21,22-dihydroporphyrin (CID 59867162) is 2,3,7,8,12,13,17,18-octaethyl-15-methoxy-21,22-dihydroporphyrin.
What is the SMILES notation for 2,3,7,8,12,13,17,18-octaethyl-15-methoxy-21,22-dihydroporphyrin?
The canonical SMILES for 2,3,7,8,12,13,17,18-octaethyl-15-methoxy-21,22-dihydroporphyrin is CCC1=C(CC)c2nc1cc1[nH]c(cc3[nH]c(cc4nc(c2OC)C(CC)=C4CC)c(CC)c3CC)c(CC)c1CC.
What is the InChIKey of 2,3,7,8,12,13,17,18-octaethyl-15-methoxy-21,22-dihydroporphyrin?
The InChIKey is DWHNVZNODCFEIG-YVBMZAFNSA-N. The full InChI is InChI=1S/C37H48N4O/c1-10-21-23(12-3)31-19-33-25(14-5)27(16-7)35(40-33)37(42-9)36-28(17-8)26(15-6)34(41-36)20-32-24(13-4)22(11-2)30(39-32)18-29(21)38-31/h18-20,38-39H,10-17H2,1-9H3/b29-18-,30-18-,31-19-,32-20-,33-19-,34-20-,37-35+,37-36+.
What are the key properties of 2,3,7,8,12,13,17,18-octaethyl-15-methoxy-21,22-dihydroporphyrin?
2,3,7,8,12,13,17,18-octaethyl-15-methoxy-21,22-dihydroporphyrin has a molecular weight of 564.82 g/mol, XLogP of 10.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8,12,13,17,18-octaethyl-15-methoxy-21,22-dihydroporphyrin is sourced from PubChem (CID 59867162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).