5,10,15,20-tetrapyridin-2-yl-21,22-dihydroporphyrin

C40H26N8 — CID 5147850

IUPAC5,10,15,20-tetrapyridin-2-yl-21,22-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccn1)c1nc(c(-c3ccccn3)c3ccc([nH]3)c(-c3ccccn3)c3ccc([nH]3)c2-c2ccccn2)C=C1
InChIInChI=1S/C40H26N8/c1-5-21-41-25(9-1)37-29-13-15-31(45-29)38(26-10-2-6-22-42-26)33-17-19-35(47-33)40(28-12-4-8-24-44-28)36-20-18-34(48-36)39(27-11-3-7-23-43-27)32-16-14-30(37)46-32/h1-24,45-46H/b37-29-,37-30-,38-31-,38-33-,39-32-,39-34-,40-35-,40-36-
InChIKeyMWOBSIASKLRDBM-KHQKEXQOSA-N
MW618.70 g/mol
LogP8.90
Rot. Bonds4

About 5,10,15,20-tetrapyridin-2-yl-21,22-dihydroporphyrin

5,10,15,20-tetrapyridin-2-yl-21,22-dihydroporphyrin (PubChem CID 5147850) has the molecular formula C40H26N8 and a molecular weight of 618.70 g/mol. Its IUPAC name is 5,10,15,20-tetrapyridin-2-yl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrapyridin-2-yl-21,22-dihydroporphyrin
PubChem CID5147850
Molecular FormulaC40H26N8
Molecular Weight618.70 g/mol
Exact Mass618.23
IUPAC Name5,10,15,20-tetrapyridin-2-yl-21,22-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccn1)c1nc(c(-c3ccccn3)c3ccc([nH]3)c(-c3ccccn3)c3ccc([nH]3)c2-c2ccccn2)C=C1
InChIInChI=1S/C40H26N8/c1-5-21-41-25(9-1)37-29-13-15-31(45-29)38(26-10-2-6-22-42-26)33-17-19-35(47-33)40(28-12-4-8-24-44-28)36-20-18-34(48-36)39(27-11-3-7-23-43-27)32-16-14-30(37)46-32/h1-24,45-46H/b37-29-,37-30-,38-31-,38-33-,39-32-,39-34-,40-35-,40-36-
InChIKeyMWOBSIASKLRDBM-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

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrapyridin-2-yl-21,22-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrapyridin-2-yl-21,22-dihydroporphyrin (CID 5147850) is 5,10,15,20-tetrapyridin-2-yl-21,22-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrapyridin-2-yl-21,22-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrapyridin-2-yl-21,22-dihydroporphyrin is C1=Cc2nc1c(-c1ccccn1)c1nc(c(-c3ccccn3)c3ccc([nH]3)c(-c3ccccn3)c3ccc([nH]3)c2-c2ccccn2)C=C1.
What is the InChIKey of 5,10,15,20-tetrapyridin-2-yl-21,22-dihydroporphyrin?
The InChIKey is MWOBSIASKLRDBM-KHQKEXQOSA-N. The full InChI is InChI=1S/C40H26N8/c1-5-21-41-25(9-1)37-29-13-15-31(45-29)38(26-10-2-6-22-42-26)33-17-19-35(47-33)40(28-12-4-8-24-44-28)36-20-18-34(48-36)39(27-11-3-7-23-43-27)32-16-14-30(37)46-32/h1-24,45-46H/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-2-yl-21,22-dihydroporphyrin?
5,10,15,20-tetrapyridin-2-yl-21,22-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-2-yl-21,22-dihydroporphyrin is sourced from PubChem (CID 5147850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).