5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin

C40H26N8 — CID 135411729

IUPAC5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccncc1)c1ccc([nH]1)c(-c1ccncc1)c1nc(c(-c3ccncc3)c3ccc([nH]3)c2-c2ccncc2)C=C1
InChIInChI=1S/C40H26N8/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25/h1-24,45,48H/b37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-
InChIKeyDNZSHSJERXNJGX-XXDGMDECSA-N
MW618.70 g/mol
LogP8.90
Rot. Bonds4

About 5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin

5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin (PubChem CID 135411729) has the molecular formula C40H26N8 and a molecular weight of 618.70 g/mol. Its IUPAC name is 5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin
PubChem CID135411729
Molecular FormulaC40H26N8
Molecular Weight618.70 g/mol
Exact Mass618.23
IUPAC Name5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccncc1)c1ccc([nH]1)c(-c1ccncc1)c1nc(c(-c3ccncc3)c3ccc([nH]3)c2-c2ccncc2)C=C1
InChIInChI=1S/C40H26N8/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25/h1-24,45,48H/b37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-
InChIKeyDNZSHSJERXNJGX-XXDGMDECSA-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

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin (CID 135411729) is 5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin is C1=Cc2nc1c(-c1ccncc1)c1ccc([nH]1)c(-c1ccncc1)c1nc(c(-c3ccncc3)c3ccc([nH]3)c2-c2ccncc2)C=C1.
What is the InChIKey of 5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin?
The InChIKey is DNZSHSJERXNJGX-XXDGMDECSA-N. The full InChI is InChI=1S/C40H26N8/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25/h1-24,45,48H/b37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-.
What are the key properties of 5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin?
5,10,15,20-tetrapyridin-4-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-4-yl-21,23-dihydroporphyrin is sourced from PubChem (CID 135411729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).