5,10,15-tris(4-methoxyphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin

C46H35N5O3 — CID 139715025

IUPAC5,10,15-tris(4-methoxyphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(OC)cc4)c4ccc([nH]4)c(-c4cccnc4)c4nc(c(-c5ccc(OC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C46H35N5O3/c1-52-32-12-6-28(7-13-32)43-35-18-20-37(48-35)44(29-8-14-33(53-2)15-9-29)39-22-24-41(50-39)46(31-5-4-26-47-27-31)42-25-23-40(51-42)45(38-21-19-36(43)49-38)30-10-16-34(54-3)17-11-30/h4-27,48,51H,1-3H3/b43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-
InChIKeyFIQXOVROAFAASB-CRLDETFASA-N
MW705.82 g/mol
LogP10.74
Rot. Bonds7

About 5,10,15-tris(4-methoxyphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin

5,10,15-tris(4-methoxyphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin (PubChem CID 139715025) has the molecular formula C46H35N5O3 and a molecular weight of 705.82 g/mol. Its IUPAC name is 5,10,15-tris(4-methoxyphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15-tris(4-methoxyphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
PubChem CID139715025
Molecular FormulaC46H35N5O3
Molecular Weight705.82 g/mol
Exact Mass705.27
IUPAC Name5,10,15-tris(4-methoxyphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(OC)cc4)c4ccc([nH]4)c(-c4cccnc4)c4nc(c(-c5ccc(OC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C46H35N5O3/c1-52-32-12-6-28(7-13-32)43-35-18-20-37(48-35)44(29-8-14-33(53-2)15-9-29)39-22-24-41(50-39)46(31-5-4-26-47-27-31)42-25-23-40(51-42)45(38-21-19-36(43)49-38)30-10-16-34(54-3)17-11-30/h4-27,48,51H,1-3H3/b43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-
InChIKeyFIQXOVROAFAASB-CRLDETFASA-N
XLogP10.74
TPSA97.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.82
LogP ≤ 510.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 135456185
5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrin
CID 135404412
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CID 135503060
5,15-Bis(4-methoxyphenyl)porphyrin
CID 135922930
4-[5-(4-Methoxy-phenyl)-2-phenyl-1H-pyrrol-3-yl]-pyridine
CID 44324083
4-[2-(4-Fluoro-phenyl)-5-(4-methoxy-phenyl)-1H-pyrrol-3-yl]-pyridine
CID 44324095
4-[3-(4-Fluoro-phenyl)-5-(4-methoxy-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 44372650
3-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 44585329
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

Frequently Asked Questions

What is the IUPAC name of 5,10,15-tris(4-methoxyphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15-tris(4-methoxyphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin (CID 139715025) is 5,10,15-tris(4-methoxyphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15-tris(4-methoxyphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15-tris(4-methoxyphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin is COc1ccc(-c2c3nc(c(-c4ccc(OC)cc4)c4ccc([nH]4)c(-c4cccnc4)c4nc(c(-c5ccc(OC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5,10,15-tris(4-methoxyphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin?
The InChIKey is FIQXOVROAFAASB-CRLDETFASA-N. The full InChI is InChI=1S/C46H35N5O3/c1-52-32-12-6-28(7-13-32)43-35-18-20-37(48-35)44(29-8-14-33(53-2)15-9-29)39-22-24-41(50-39)46(31-5-4-26-47-27-31)42-25-23-40(51-42)45(38-21-19-36(43)49-38)30-10-16-34(54-3)17-11-30/h4-27,48,51H,1-3H3/b43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-.
What are the key properties of 5,10,15-tris(4-methoxyphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin?
5,10,15-tris(4-methoxyphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin has a molecular weight of 705.82 g/mol, XLogP of 10.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-tris(4-methoxyphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin is sourced from PubChem (CID 139715025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).