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

C43H26Cl3N5 — CID 136690981

IUPAC5,10,15-tris(4-chlorophenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin
SMILESClc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4ccc([nH]4)c(-c4ccc(Cl)cc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C43H26Cl3N5/c44-29-7-1-25(2-8-29)40-32-13-15-34(48-32)41(26-3-9-30(45)10-4-26)36-17-19-38(50-36)43(28-21-23-47-24-22-28)39-20-18-37(51-39)42(35-16-14-33(40)49-35)27-5-11-31(46)12-6-27/h1-24,48,51H/b40-32-,40-33-,41-34-,41-36-,42-35-,42-37-,43-38-,43-39-
InChIKeyWHOPQWDKPNXFRR-GBQNNRHKSA-N
MW719.08 g/mol
LogP12.68
Rot. Bonds4

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

5,10,15-tris(4-chlorophenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin (PubChem CID 136690981) has the molecular formula C43H26Cl3N5 and a molecular weight of 719.08 g/mol. Its IUPAC name is 5,10,15-tris(4-chlorophenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15-tris(4-chlorophenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin
PubChem CID136690981
Molecular FormulaC43H26Cl3N5
Molecular Weight719.08 g/mol
Exact Mass717.13
IUPAC Name5,10,15-tris(4-chlorophenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin
SMILESClc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4ccc([nH]4)c(-c4ccc(Cl)cc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C43H26Cl3N5/c44-29-7-1-25(2-8-29)40-32-13-15-34(48-32)41(26-3-9-30(45)10-4-26)36-17-19-38(50-36)43(28-21-23-47-24-22-28)39-20-18-37(51-39)42(35-16-14-33(40)49-35)27-5-11-31(46)12-6-27/h1-24,48,51H/b40-32-,40-33-,41-34-,41-36-,42-35-,42-37-,43-38-,43-39-
InChIKeyWHOPQWDKPNXFRR-GBQNNRHKSA-N
XLogP12.68
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.08
LogP ≤ 512.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

meso-Tetrakis(2-N-methylpyridyl)porphine
CID 135398505
5,10,15,20-Tetra(4-pyridyl)porphyrin
CID 135411729
5,10,15,20-Tetra(1-methyl-4-pyridyl)-porphyrin
CID 4234
3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole
CID 5302583
10,20-Bis(1-methylpyridin-1-ium-4-yl)-5,15-diphenyl-21,22-dihydroporphyrin diiodide
CID 136026482
4-[3,5-Bis-(4-chloro-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 9929037
5,10,15,20-Tetrakis(N-methyl-4-pyridyl)-21,23H-porphyrin tetrachloride
CID 135509775
4-[5-(4-Chloro-phenyl)-3-(4-fluoro-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 12967031
2-Chloro-7,12-dihydro-5,7,12-triaza-indeno[1,2-a]fluorene
CID 14146971
4-[5-(4-Chloro-phenyl)-2-(4-fluoro-phenyl)-1H-pyrrol-3-yl]-pyridine
CID 44323635
4-[2-(4-Chloro-phenyl)-5-phenyl-1H-pyrrol-3-yl]-pyridine
CID 44323842
4-[5-(4-Chloro-phenyl)-2-phenyl-1H-pyrrol-3-yl]-pyridine
CID 44323966

Frequently Asked Questions

What is the IUPAC name of 5,10,15-tris(4-chlorophenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15-tris(4-chlorophenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin (CID 136690981) is 5,10,15-tris(4-chlorophenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15-tris(4-chlorophenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15-tris(4-chlorophenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin is Clc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4ccc([nH]4)c(-c4ccc(Cl)cc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5,10,15-tris(4-chlorophenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin?
The InChIKey is WHOPQWDKPNXFRR-GBQNNRHKSA-N. The full InChI is InChI=1S/C43H26Cl3N5/c44-29-7-1-25(2-8-29)40-32-13-15-34(48-32)41(26-3-9-30(45)10-4-26)36-17-19-38(50-36)43(28-21-23-47-24-22-28)39-20-18-37(51-39)42(35-16-14-33(40)49-35)27-5-11-31(46)12-6-27/h1-24,48,51H/b40-32-,40-33-,41-34-,41-36-,42-35-,42-37-,43-38-,43-39-.
What are the key properties of 5,10,15-tris(4-chlorophenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin?
5,10,15-tris(4-chlorophenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin has a molecular weight of 719.08 g/mol, XLogP of 12.68, 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-chlorophenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin is sourced from PubChem (CID 136690981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).