2,3-dichloro-5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin

C43H27Cl2N5 — CID 141374002

IUPAC2,3-dichloro-5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
SMILESClc1c(Cl)c2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccncc2)C=C3)C=C1
InChIInChI=1S/C43H27Cl2N5/c44-40-41(45)43-39(29-22-24-46-25-23-29)35-21-19-33(49-35)37(27-12-6-2-7-13-27)31-17-16-30(47-31)36(26-10-4-1-5-11-26)32-18-20-34(48-32)38(42(40)50-43)28-14-8-3-9-15-28/h1-25,47,50H/b36-30-,36-32-,37-31-,37-33-,38-34-,39-35-,42-38-,43-39-
InChIKeyWDIUNINNPCZEOK-DFAQTAGESA-N
MW684.63 g/mol
LogP12.03
Rot. Bonds4

About 2,3-dichloro-5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin

2,3-dichloro-5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin (PubChem CID 141374002) has the molecular formula C43H27Cl2N5 and a molecular weight of 684.63 g/mol. Its IUPAC name is 2,3-dichloro-5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name2,3-dichloro-5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
PubChem CID141374002
Molecular FormulaC43H27Cl2N5
Molecular Weight684.63 g/mol
Exact Mass683.16
IUPAC Name2,3-dichloro-5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
SMILESClc1c(Cl)c2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccncc2)C=C3)C=C1
InChIInChI=1S/C43H27Cl2N5/c44-40-41(45)43-39(29-22-24-46-25-23-29)35-21-19-33(49-35)37(27-12-6-2-7-13-27)31-17-16-30(47-31)36(26-10-4-1-5-11-26)32-18-20-34(48-32)38(42(40)50-43)28-14-8-3-9-15-28/h1-25,47,50H/b36-30-,36-32-,37-31-,37-33-,38-34-,39-35-,42-38-,43-39-
InChIKeyWDIUNINNPCZEOK-DFAQTAGESA-N
XLogP12.03
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.63
LogP ≤ 512.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3-dichloro-5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin with MolForge

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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
10,20-Bis(1-methylpyridin-1-ium-4-yl)-5,15-diphenyl-21,22-dihydroporphyrin diiodide
CID 136026482
5,10,15,20-Tetrakis(N-methyl-4-pyridyl)-21,23H-porphyrin tetrachloride
CID 135509775
10-(2-fluoro-4-pyridinyl)-5,15-bis(2,3,5,6-tetrafluorophenyl)-22,23-dihydro-21H-corrin
CID 162657394
21H,23H-Porphine, 5,10,15,20-tetrakis(4-chlorophenyl)-
CID 135403279
5,15-Bis(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin
CID 12107140
5,10,15,20-Tetrakis(1-methylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin;tetrachloride
CID 15374479
3-[[5-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 127035572
3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole
CID 127035942
5,10,15-Tris(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin
CID 135541856

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin?
The IUPAC name of 2,3-dichloro-5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin (CID 141374002) is 2,3-dichloro-5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin.
What is the SMILES notation for 2,3-dichloro-5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin?
The canonical SMILES for 2,3-dichloro-5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin is Clc1c(Cl)c2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccncc2)C=C3)C=C1.
What is the InChIKey of 2,3-dichloro-5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin?
The InChIKey is WDIUNINNPCZEOK-DFAQTAGESA-N. The full InChI is InChI=1S/C43H27Cl2N5/c44-40-41(45)43-39(29-22-24-46-25-23-29)35-21-19-33(49-35)37(27-12-6-2-7-13-27)31-17-16-30(47-31)36(26-10-4-1-5-11-26)32-18-20-34(48-32)38(42(40)50-43)28-14-8-3-9-15-28/h1-25,47,50H/b36-30-,36-32-,37-31-,37-33-,38-34-,39-35-,42-38-,43-39-.
What are the key properties of 2,3-dichloro-5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin?
2,3-dichloro-5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin has a molecular weight of 684.63 g/mol, XLogP of 12.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin is sourced from PubChem (CID 141374002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).