5,10,15,20-tetrakis(4-chlorophenyl)-7-pyrrolidin-1-yl-21,23-dihydroporphyrin

C48H33Cl4N5 — CID 162662696

IUPAC5,10,15,20-tetrakis(4-chlorophenyl)-7-pyrrolidin-1-yl-21,23-dihydroporphyrin
SMILESClc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4ccc([nH]4)c(-c4ccc(Cl)cc4)c4nc(c(-c5ccc(Cl)cc5)c5ccc2[nH]5)C=C4N2CCCC2)C=C3)cc1
InChIInChI=1S/C48H33Cl4N5/c49-32-11-3-28(4-12-32)44-36-19-20-37(53-36)45(29-5-13-33(50)14-6-29)39-23-24-41(55-39)47(31-9-17-35(52)18-10-31)48-43(57-25-1-2-26-57)27-42(56-48)46(40-22-21-38(44)54-40)30-7-15-34(51)16-8-30/h3-24,27,54-55H,1-2,25-26H2/b44-36-,44-38-,45-37-,45-39-,46-40-,46-42-,47-41-,48-47-
InChIKeyGIOAZDGPXTYLCP-ZDMNOSTMSA-N
MW821.64 g/mol
LogP14.36
Rot. Bonds5

About 5,10,15,20-tetrakis(4-chlorophenyl)-7-pyrrolidin-1-yl-21,23-dihydroporphyrin

5,10,15,20-tetrakis(4-chlorophenyl)-7-pyrrolidin-1-yl-21,23-dihydroporphyrin (PubChem CID 162662696) has the molecular formula C48H33Cl4N5 and a molecular weight of 821.64 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(4-chlorophenyl)-7-pyrrolidin-1-yl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(4-chlorophenyl)-7-pyrrolidin-1-yl-21,23-dihydroporphyrin
PubChem CID162662696
Molecular FormulaC48H33Cl4N5
Molecular Weight821.64 g/mol
Exact Mass819.15
IUPAC Name5,10,15,20-tetrakis(4-chlorophenyl)-7-pyrrolidin-1-yl-21,23-dihydroporphyrin
SMILESClc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4ccc([nH]4)c(-c4ccc(Cl)cc4)c4nc(c(-c5ccc(Cl)cc5)c5ccc2[nH]5)C=C4N2CCCC2)C=C3)cc1
InChIInChI=1S/C48H33Cl4N5/c49-32-11-3-28(4-12-32)44-36-19-20-37(53-36)45(29-5-13-33(50)14-6-29)39-23-24-41(55-39)47(31-9-17-35(52)18-10-31)48-43(57-25-1-2-26-57)27-42(56-48)46(40-22-21-38(44)54-40)30-7-15-34(51)16-8-30/h3-24,27,54-55H,1-2,25-26H2/b44-36-,44-38-,45-37-,45-39-,46-40-,46-42-,47-41-,48-47-
InChIKeyGIOAZDGPXTYLCP-ZDMNOSTMSA-N
XLogP14.36
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.64
LogP ≤ 514.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(4-chlorophenyl)-7-pyrrolidin-1-yl-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(4-chlorophenyl)-7-pyrrolidin-1-yl-21,23-dihydroporphyrin (CID 162662696) is 5,10,15,20-tetrakis(4-chlorophenyl)-7-pyrrolidin-1-yl-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(4-chlorophenyl)-7-pyrrolidin-1-yl-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(4-chlorophenyl)-7-pyrrolidin-1-yl-21,23-dihydroporphyrin is Clc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4ccc([nH]4)c(-c4ccc(Cl)cc4)c4nc(c(-c5ccc(Cl)cc5)c5ccc2[nH]5)C=C4N2CCCC2)C=C3)cc1.
What is the InChIKey of 5,10,15,20-tetrakis(4-chlorophenyl)-7-pyrrolidin-1-yl-21,23-dihydroporphyrin?
The InChIKey is GIOAZDGPXTYLCP-ZDMNOSTMSA-N. The full InChI is InChI=1S/C48H33Cl4N5/c49-32-11-3-28(4-12-32)44-36-19-20-37(53-36)45(29-5-13-33(50)14-6-29)39-23-24-41(55-39)47(31-9-17-35(52)18-10-31)48-43(57-25-1-2-26-57)27-42(56-48)46(40-22-21-38(44)54-40)30-7-15-34(51)16-8-30/h3-24,27,54-55H,1-2,25-26H2/b44-36-,44-38-,45-37-,45-39-,46-40-,46-42-,47-41-,48-47-.
What are the key properties of 5,10,15,20-tetrakis(4-chlorophenyl)-7-pyrrolidin-1-yl-21,23-dihydroporphyrin?
5,10,15,20-tetrakis(4-chlorophenyl)-7-pyrrolidin-1-yl-21,23-dihydroporphyrin has a molecular weight of 821.64 g/mol, XLogP of 14.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(4-chlorophenyl)-7-pyrrolidin-1-yl-21,23-dihydroporphyrin is sourced from PubChem (CID 162662696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).