5,15-bis(4-methoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin

C44H32N6O2 — CID 135778241

IUPAC5,15-bis(4-methoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(c(-c4ccncc4)c4ccc([nH]4)c(-c4ccc(OC)cc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C44H32N6O2/c1-51-31-7-3-27(4-8-31)41-33-11-15-37(47-33)43(29-19-23-45-24-20-29)39-17-13-35(49-39)42(28-5-9-32(52-2)10-6-28)36-14-18-40(50-36)44(30-21-25-46-26-22-30)38-16-12-34(41)48-38/h3-26,47,50H,1-2H3/b41-33-,41-34-,42-35-,42-36-,43-37-,43-39-,44-38-,44-40-
InChIKeyYNJLXDYUCVQMCX-VRDUDMDPSA-N
MW676.78 g/mol
LogP10.13
Rot. Bonds6

About 5,15-bis(4-methoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin

5,15-bis(4-methoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin (PubChem CID 135778241) has the molecular formula C44H32N6O2 and a molecular weight of 676.78 g/mol. Its IUPAC name is 5,15-bis(4-methoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,15-bis(4-methoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin
PubChem CID135778241
Molecular FormulaC44H32N6O2
Molecular Weight676.78 g/mol
Exact Mass676.26
IUPAC Name5,15-bis(4-methoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(c(-c4ccncc4)c4ccc([nH]4)c(-c4ccc(OC)cc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C44H32N6O2/c1-51-31-7-3-27(4-8-31)41-33-11-15-37(47-33)43(29-19-23-45-24-20-29)39-17-13-35(49-39)42(28-5-9-32(52-2)10-6-28)36-14-18-40(50-36)44(30-21-25-46-26-22-30)38-16-12-34(41)48-38/h3-26,47,50H,1-2H3/b41-33-,41-34-,42-35-,42-36-,43-37-,43-39-,44-38-,44-40-
InChIKeyYNJLXDYUCVQMCX-VRDUDMDPSA-N
XLogP10.13
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.78
LogP ≤ 510.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Exeporfinium chloride
CID 135456185
5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrin
CID 135404412
5,15-bis-(3-Methoxy-phenyl)-porphyrin
CID 135503060
5,15-Bis(4-methoxyphenyl)porphyrin
CID 135922930
4-[5-(4-Methoxy-phenyl)-2-phenyl-1H-pyrrol-3-yl]-pyridine
CID 44324083
5-(4-Methoxyphenyl)-15-phenylporphyrin
CID 135404821
5-(3-Methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin
CID 135438562
5-(3-Methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135503083
2-[4-(10,15,20-Triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethyl nitrate
CID 135869413
DIM-C-pPhOCH3
CID 11371604
5-(4-Methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135507716
2-[4-[10,15,20-Tris[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol
CID 135897829

Frequently Asked Questions

What is the IUPAC name of 5,15-bis(4-methoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin?
The IUPAC name of 5,15-bis(4-methoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin (CID 135778241) is 5,15-bis(4-methoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin.
What is the SMILES notation for 5,15-bis(4-methoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin?
The canonical SMILES for 5,15-bis(4-methoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin is COc1ccc(-c2c3nc(c(-c4ccncc4)c4ccc([nH]4)c(-c4ccc(OC)cc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5,15-bis(4-methoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin?
The InChIKey is YNJLXDYUCVQMCX-VRDUDMDPSA-N. The full InChI is InChI=1S/C44H32N6O2/c1-51-31-7-3-27(4-8-31)41-33-11-15-37(47-33)43(29-19-23-45-24-20-29)39-17-13-35(49-39)42(28-5-9-32(52-2)10-6-28)36-14-18-40(50-36)44(30-21-25-46-26-22-30)38-16-12-34(41)48-38/h3-26,47,50H,1-2H3/b41-33-,41-34-,42-35-,42-36-,43-37-,43-39-,44-38-,44-40-.
What are the key properties of 5,15-bis(4-methoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin?
5,15-bis(4-methoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin has a molecular weight of 676.78 g/mol, XLogP of 10.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(4-methoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin is sourced from PubChem (CID 135778241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).