4-[5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin-2-yl]morpholine

C48H33Cl4N5O — CID 141496640

IUPAC4-[5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin-2-yl]morpholine
SMILESClc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4cc(N5CCOCC5)c([nH]4)c(-c4ccc(Cl)cc4)c4nc(c(-c5ccc(Cl)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C48H33Cl4N5O/c49-32-9-1-28(2-10-32)44-36-17-18-37(53-36)45(29-3-11-33(50)12-4-29)39-21-22-41(55-39)47(31-7-15-35(52)16-8-31)48-43(57-23-25-58-26-24-57)27-42(56-48)46(40-20-19-38(44)54-40)30-5-13-34(51)14-6-30/h1-22,27,53,56H,23-26H2/b44-36-,44-38-,45-37-,45-39-,46-40-,46-42-,47-41-,48-47-
InChIKeyHIBKLOPMGBZRGM-ZDMNOSTMSA-N
MW837.64 g/mol
LogP13.77
Rot. Bonds5

About 4-[5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin-2-yl]morpholine

4-[5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin-2-yl]morpholine (PubChem CID 141496640) has the molecular formula C48H33Cl4N5O and a molecular weight of 837.64 g/mol. Its IUPAC name is 4-[5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin-2-yl]morpholine
PubChem CID141496640
Molecular FormulaC48H33Cl4N5O
Molecular Weight837.64 g/mol
Exact Mass835.14
IUPAC Name4-[5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin-2-yl]morpholine
SMILESClc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4cc(N5CCOCC5)c([nH]4)c(-c4ccc(Cl)cc4)c4nc(c(-c5ccc(Cl)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C48H33Cl4N5O/c49-32-9-1-28(2-10-32)44-36-17-18-37(53-36)45(29-3-11-33(50)12-4-29)39-21-22-41(55-39)47(31-7-15-35(52)16-8-31)48-43(57-23-25-58-26-24-57)27-42(56-48)46(40-20-19-38(44)54-40)30-5-13-34(51)14-6-30/h1-22,27,53,56H,23-26H2/b44-36-,44-38-,45-37-,45-39-,46-40-,46-42-,47-41-,48-47-
InChIKeyHIBKLOPMGBZRGM-ZDMNOSTMSA-N
XLogP13.77
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.64
LogP ≤ 513.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

copper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 175008074
CID 169095894
CID 169095894
N-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine
CID 135909496
[4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl] prop-2-enoate
CID 136803781
6-chloro-13,18,23-tris(4-chlorophenyl)-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14(29),15,17,19,21,23,25-tetradecaene
CID 135710919
5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-21,23-dihydroporphyrin
CID 146020180
platinum;4-[10,15,20-tris(4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 159589008
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
cobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin
CID 175743178
5,10,15-tris(3,4,5-trifluorophenyl)-22,23-dihydro-21H-corrin
CID 136825566
2,6-difluoro-4-[10,15,20-tris(3,5-difluoro-4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 135469238
5,10,15,20-tetrakis(4-chlorophenyl)-12-nitro-21,22-dihydroporphyrin
CID 135855104

Frequently Asked Questions

What is the IUPAC name of 4-[5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin-2-yl]morpholine?
The IUPAC name of 4-[5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin-2-yl]morpholine (CID 141496640) is 4-[5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin-2-yl]morpholine.
What is the SMILES notation for 4-[5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin-2-yl]morpholine?
The canonical SMILES for 4-[5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin-2-yl]morpholine is Clc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4cc(N5CCOCC5)c([nH]4)c(-c4ccc(Cl)cc4)c4nc(c(-c5ccc(Cl)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 4-[5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin-2-yl]morpholine?
The InChIKey is HIBKLOPMGBZRGM-ZDMNOSTMSA-N. The full InChI is InChI=1S/C48H33Cl4N5O/c49-32-9-1-28(2-10-32)44-36-17-18-37(53-36)45(29-3-11-33(50)12-4-29)39-21-22-41(55-39)47(31-7-15-35(52)16-8-31)48-43(57-23-25-58-26-24-57)27-42(56-48)46(40-20-19-38(44)54-40)30-5-13-34(51)14-6-30/h1-22,27,53,56H,23-26H2/b44-36-,44-38-,45-37-,45-39-,46-40-,46-42-,47-41-,48-47-.
What are the key properties of 4-[5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin-2-yl]morpholine?
4-[5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin-2-yl]morpholine has a molecular weight of 837.64 g/mol, XLogP of 13.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin-2-yl]morpholine is sourced from PubChem (CID 141496640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).