5-(4-methoxyphenyl)-15-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin

C36H30N4O4 — CID 135438406

IUPAC5-(4-methoxyphenyl)-15-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4cc(OC)c(OC)c(OC)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C36H30N4O4/c1-41-27-11-5-21(6-12-27)34-28-13-7-23(37-28)19-25-9-15-30(39-25)35(22-17-32(42-2)36(44-4)33(18-22)43-3)31-16-10-26(40-31)20-24-8-14-29(34)38-24/h5-20,37,40H,1-4H3/b23-19-,24-20-,25-19-,26-20-,34-28-,34-29-,35-30-,35-31-
InChIKeyCZNHMFIHXQYROI-ZCUIBMQTSA-N
MW582.66 g/mol
LogP8.02
Rot. Bonds6

About 5-(4-methoxyphenyl)-15-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin

5-(4-methoxyphenyl)-15-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin (PubChem CID 135438406) has the molecular formula C36H30N4O4 and a molecular weight of 582.66 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-15-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-15-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin
PubChem CID135438406
Molecular FormulaC36H30N4O4
Molecular Weight582.66 g/mol
Exact Mass582.23
IUPAC Name5-(4-methoxyphenyl)-15-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4cc(OC)c(OC)c(OC)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C36H30N4O4/c1-41-27-11-5-21(6-12-27)34-28-13-7-23(37-28)19-25-9-15-30(39-25)35(22-17-32(42-2)36(44-4)33(18-22)43-3)31-16-10-26(40-31)20-24-8-14-29(34)38-24/h5-20,37,40H,1-4H3/b23-19-,24-20-,25-19-,26-20-,34-28-,34-29-,35-30-,35-31-
InChIKeyCZNHMFIHXQYROI-ZCUIBMQTSA-N
XLogP8.02
TPSA94.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.66
LogP ≤ 58.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-15-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5-(4-methoxyphenyl)-15-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin (CID 135438406) is 5-(4-methoxyphenyl)-15-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5-(4-methoxyphenyl)-15-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5-(4-methoxyphenyl)-15-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin is COc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4cc(OC)c(OC)c(OC)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-15-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin?
The InChIKey is CZNHMFIHXQYROI-ZCUIBMQTSA-N. The full InChI is InChI=1S/C36H30N4O4/c1-41-27-11-5-21(6-12-27)34-28-13-7-23(37-28)19-25-9-15-30(39-25)35(22-17-32(42-2)36(44-4)33(18-22)43-3)31-16-10-26(40-31)20-24-8-14-29(34)38-24/h5-20,37,40H,1-4H3/b23-19-,24-20-,25-19-,26-20-,34-28-,34-29-,35-30-,35-31-.
What are the key properties of 5-(4-methoxyphenyl)-15-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin?
5-(4-methoxyphenyl)-15-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin has a molecular weight of 582.66 g/mol, XLogP of 8.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-15-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 135438406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).