5,10,15,20-tetraphenylporphyrin

C44H28N4 — CID 518895

IUPAC5,10,15,20-tetraphenylporphyrin
SMILESC1=C/C2=C(\c3ccccc3)C3=N/C(=C(/c4ccccc4)C4=N/C(=C(/c5ccccc5)C5=N/C(=C(/c6ccccc6)C1=N2)C=C5)C=C4)C=C3
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/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyASQZPNGAQXZRMQ-LWQDQPMZSA-N
MW612.74 g/mol
LogP9.69
Rot. Bonds4

About 5,10,15,20-tetraphenylporphyrin

5,10,15,20-tetraphenylporphyrin (PubChem CID 518895) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 5,10,15,20-tetraphenylporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetraphenylporphyrin
PubChem CID518895
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name5,10,15,20-tetraphenylporphyrin
SMILESC1=C/C2=C(\c3ccccc3)C3=N/C(=C(/c4ccccc4)C4=N/C(=C(/c5ccccc5)C5=N/C(=C(/c6ccccc6)C1=N2)C=C5)C=C4)C=C3
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/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyASQZPNGAQXZRMQ-LWQDQPMZSA-N
XLogP9.69
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,10,15,20-tetraphenylporphyrin 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?
The IUPAC name of 5,10,15,20-tetraphenylporphyrin (CID 518895) is 5,10,15,20-tetraphenylporphyrin.
What is the SMILES notation for 5,10,15,20-tetraphenylporphyrin?
The canonical SMILES for 5,10,15,20-tetraphenylporphyrin is C1=C/C2=C(\c3ccccc3)C3=N/C(=C(/c4ccccc4)C4=N/C(=C(/c5ccccc5)C5=N/C(=C(/c6ccccc6)C1=N2)C=C5)C=C4)C=C3.
What is the InChIKey of 5,10,15,20-tetraphenylporphyrin?
The InChIKey is ASQZPNGAQXZRMQ-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/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?
5,10,15,20-tetraphenylporphyrin has a molecular weight of 612.74 g/mol, XLogP of 9.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetraphenylporphyrin is sourced from PubChem (CID 518895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).