5,10,15,20-tetraphenylporphyrin-22,24-diide

C44H28N4-2 — CID 7566434

IUPAC5,10,15,20-tetraphenylporphyrin-22,24-diide
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([n-]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C44H28N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28H/q-2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyIVJKMLIKXKKJOU-LWQDQPMZSA-N
MW612.74 g/mol
LogP10.58
Rot. Bonds4

About 5,10,15,20-tetraphenylporphyrin-22,24-diide

5,10,15,20-tetraphenylporphyrin-22,24-diide (PubChem CID 7566434) has the molecular formula C44H28N4-2 and a molecular weight of 612.74 g/mol. Its IUPAC name is 5,10,15,20-tetraphenylporphyrin-22,24-diide.

Molecular Properties

Compound Name5,10,15,20-tetraphenylporphyrin-22,24-diide
PubChem CID7566434
Molecular FormulaC44H28N4-2
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name5,10,15,20-tetraphenylporphyrin-22,24-diide
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([n-]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C44H28N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28H/q-2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyIVJKMLIKXKKJOU-LWQDQPMZSA-N
XLogP10.58
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,10,15,20-tetraphenylporphyrin-22,24-diide 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 5,10,15,20-tetraphenylporphyrin-22,24-diide?
The IUPAC name of 5,10,15,20-tetraphenylporphyrin-22,24-diide (CID 7566434) is 5,10,15,20-tetraphenylporphyrin-22,24-diide.
What is the SMILES notation for 5,10,15,20-tetraphenylporphyrin-22,24-diide?
The canonical SMILES for 5,10,15,20-tetraphenylporphyrin-22,24-diide is C1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([n-]3)c2-c2ccccc2)C=C1.
What is the InChIKey of 5,10,15,20-tetraphenylporphyrin-22,24-diide?
The InChIKey is IVJKMLIKXKKJOU-LWQDQPMZSA-N. The full InChI is InChI=1S/C44H28N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28H/q-2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-.
What are the key properties of 5,10,15,20-tetraphenylporphyrin-22,24-diide?
5,10,15,20-tetraphenylporphyrin-22,24-diide has a molecular weight of 612.74 g/mol, XLogP of 10.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetraphenylporphyrin-22,24-diide is sourced from PubChem (CID 7566434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).