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

C46H35N5 — CID 135590703

IUPAC5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4cccnc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C46H35N5/c1-28-6-12-31(13-7-28)43-35-18-20-37(48-35)44(32-14-8-29(2)9-15-32)39-22-24-41(50-39)46(34-5-4-26-47-27-34)42-25-23-40(51-42)45(38-21-19-36(43)49-38)33-16-10-30(3)11-17-33/h4-27,48,51H,1-3H3/b43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-
InChIKeyVXHQGIQBZFLPBK-CRLDETFASA-N
MW657.82 g/mol
LogP11.64
Rot. Bonds4

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

5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin (PubChem CID 135590703) has the molecular formula C46H35N5 and a molecular weight of 657.82 g/mol. Its IUPAC name is 5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
PubChem CID135590703
Molecular FormulaC46H35N5
Molecular Weight657.82 g/mol
Exact Mass657.29
IUPAC Name5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4cccnc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C46H35N5/c1-28-6-12-31(13-7-28)43-35-18-20-37(48-35)44(32-14-8-29(2)9-15-32)39-22-24-41(50-39)46(34-5-4-26-47-27-34)42-25-23-40(51-42)45(38-21-19-36(43)49-38)33-16-10-30(3)11-17-33/h4-27,48,51H,1-3H3/b43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-
InChIKeyVXHQGIQBZFLPBK-CRLDETFASA-N
XLogP11.64
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.82
LogP ≤ 511.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin
CID 10627615
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
CID 136801783
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)
CID 138402828
5,10-bis(4-dodecoxyphenyl)-15,20-dipyridin-3-yl-21,23-dihydroporphyrin
CID 137187412
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-21,23-dihydroporphyrin
CID 135516586
23-methyl-5,10,15,20-tetrakis(4-methylphenyl)-21H-porphyrin
CID 11125302
(dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135454674
15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
CID 57355028
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239

Frequently Asked Questions

What is the IUPAC name of 5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin (CID 135590703) is 5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin is Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4cccnc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin?
The InChIKey is VXHQGIQBZFLPBK-CRLDETFASA-N. The full InChI is InChI=1S/C46H35N5/c1-28-6-12-31(13-7-28)43-35-18-20-37(48-35)44(32-14-8-29(2)9-15-32)39-22-24-41(50-39)46(34-5-4-26-47-27-34)42-25-23-40(51-42)45(38-21-19-36(43)49-38)33-16-10-30(3)11-17-33/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-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin?
5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin has a molecular weight of 657.82 g/mol, XLogP of 11.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin is sourced from PubChem (CID 135590703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).