2-methoxy-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

C45H32N4O — CID 135545246

IUPAC2-methoxy-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESCOc1cc2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1
InChIInChI=1S/C45H32N4O/c1-50-40-28-39-43(31-18-10-4-11-19-31)37-25-24-35(47-37)41(29-14-6-2-7-15-29)33-22-23-34(46-33)42(30-16-8-3-9-17-30)36-26-27-38(48-36)44(45(40)49-39)32-20-12-5-13-21-32/h2-28,46,49H,1H3/b41-33-,41-35-,42-34-,42-36-,43-37-,43-39-,44-38-,45-44-
InChIKeyXPRJCUFFOCDYLX-VKKWEVSDSA-N
MW644.78 g/mol
LogP11.33
Rot. Bonds5

About 2-methoxy-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

2-methoxy-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (PubChem CID 135545246) has the molecular formula C45H32N4O and a molecular weight of 644.78 g/mol. Its IUPAC name is 2-methoxy-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name2-methoxy-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
PubChem CID135545246
Molecular FormulaC45H32N4O
Molecular Weight644.78 g/mol
Exact Mass644.26
IUPAC Name2-methoxy-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESCOc1cc2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1
InChIInChI=1S/C45H32N4O/c1-50-40-28-39-43(31-18-10-4-11-19-31)37-25-24-35(47-37)41(29-14-6-2-7-15-29)33-22-23-34(46-33)42(30-16-8-3-9-17-30)36-26-27-38(48-36)44(45(40)49-39)32-20-12-5-13-21-32/h2-28,46,49H,1H3/b41-33-,41-35-,42-34-,42-36-,43-37-,43-39-,44-38-,45-44-
InChIKeyXPRJCUFFOCDYLX-VKKWEVSDSA-N
XLogP11.33
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.78
LogP ≤ 511.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-5,10,15,20-tetraphenyl-21,23-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-methoxy-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The IUPAC name of 2-methoxy-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (CID 135545246) is 2-methoxy-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 2-methoxy-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The canonical SMILES for 2-methoxy-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is COc1cc2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1.
What is the InChIKey of 2-methoxy-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The InChIKey is XPRJCUFFOCDYLX-VKKWEVSDSA-N. The full InChI is InChI=1S/C45H32N4O/c1-50-40-28-39-43(31-18-10-4-11-19-31)37-25-24-35(47-37)41(29-14-6-2-7-15-29)33-22-23-34(46-33)42(30-16-8-3-9-17-30)36-26-27-38(48-36)44(45(40)49-39)32-20-12-5-13-21-32/h2-28,46,49H,1H3/b41-33-,41-35-,42-34-,42-36-,43-37-,43-39-,44-38-,45-44-.
What are the key properties of 2-methoxy-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
2-methoxy-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin has a molecular weight of 644.78 g/mol, XLogP of 11.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 135545246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).