5,10,15,20-tetrapyridin-3-yl-21,23-dihydroporphyrin

C40H26N8 — CID 135411730

IUPAC5,10,15,20-tetrapyridin-3-yl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1cccnc1)c1ccc([nH]1)c(-c1cccnc1)c1nc(c(-c3cccnc3)c3ccc([nH]3)c2-c2cccnc2)C=C1
InChIInChI=1S/C40H26N8/c1-5-25(21-41-17-1)37-29-9-11-31(45-29)38(26-6-2-18-42-22-26)33-13-15-35(47-33)40(28-8-4-20-44-24-28)36-16-14-34(48-36)39(27-7-3-19-43-23-27)32-12-10-30(37)46-32/h1-24,45,48H/b37-29-,37-30-,38-31-,38-33-,39-32-,39-34-,40-35-,40-36-
InChIKeyGZKPUYJFADMBGO-KHQKEXQOSA-N
MW618.70 g/mol
LogP8.90
Rot. Bonds4

About 5,10,15,20-tetrapyridin-3-yl-21,23-dihydroporphyrin

5,10,15,20-tetrapyridin-3-yl-21,23-dihydroporphyrin (PubChem CID 135411730) has the molecular formula C40H26N8 and a molecular weight of 618.70 g/mol. Its IUPAC name is 5,10,15,20-tetrapyridin-3-yl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrapyridin-3-yl-21,23-dihydroporphyrin
PubChem CID135411730
Molecular FormulaC40H26N8
Molecular Weight618.70 g/mol
Exact Mass618.23
IUPAC Name5,10,15,20-tetrapyridin-3-yl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1cccnc1)c1ccc([nH]1)c(-c1cccnc1)c1nc(c(-c3cccnc3)c3ccc([nH]3)c2-c2cccnc2)C=C1
InChIInChI=1S/C40H26N8/c1-5-25(21-41-17-1)37-29-9-11-31(45-29)38(26-6-2-18-42-22-26)33-13-15-35(47-33)40(28-8-4-20-44-24-28)36-16-14-34(48-36)39(27-7-3-19-43-23-27)32-12-10-30(37)46-32/h1-24,45,48H/b37-29-,37-30-,38-31-,38-33-,39-32-,39-34-,40-35-,40-36-
InChIKeyGZKPUYJFADMBGO-KHQKEXQOSA-N
XLogP8.90
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 58.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,10,15,20-tetrapyridin-3-yl-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 5,10,15,20-tetrapyridin-3-yl-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrapyridin-3-yl-21,23-dihydroporphyrin (CID 135411730) is 5,10,15,20-tetrapyridin-3-yl-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrapyridin-3-yl-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrapyridin-3-yl-21,23-dihydroporphyrin is C1=Cc2nc1c(-c1cccnc1)c1ccc([nH]1)c(-c1cccnc1)c1nc(c(-c3cccnc3)c3ccc([nH]3)c2-c2cccnc2)C=C1.
What is the InChIKey of 5,10,15,20-tetrapyridin-3-yl-21,23-dihydroporphyrin?
The InChIKey is GZKPUYJFADMBGO-KHQKEXQOSA-N. The full InChI is InChI=1S/C40H26N8/c1-5-25(21-41-17-1)37-29-9-11-31(45-29)38(26-6-2-18-42-22-26)33-13-15-35(47-33)40(28-8-4-20-44-24-28)36-16-14-34(48-36)39(27-7-3-19-43-23-27)32-12-10-30(37)46-32/h1-24,45,48H/b37-29-,37-30-,38-31-,38-33-,39-32-,39-34-,40-35-,40-36-.
What are the key properties of 5,10,15,20-tetrapyridin-3-yl-21,23-dihydroporphyrin?
5,10,15,20-tetrapyridin-3-yl-21,23-dihydroporphyrin has a molecular weight of 618.70 g/mol, XLogP of 8.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrapyridin-3-yl-21,23-dihydroporphyrin is sourced from PubChem (CID 135411730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).