5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin

C44H26Cl4N4 — CID 135403279

IUPAC5,10,15,20-tetrakis(4-chlorophenyl)-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=C4)C=C3)cc1
InChIInChI=1S/C44H26Cl4N4/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27/h1-24,49,52H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyKLMHOLCGHWVPMP-LWQDQPMZSA-N
MW752.53 g/mol
LogP13.94
Rot. Bonds4

About 5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin

5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin (PubChem CID 135403279) has the molecular formula C44H26Cl4N4 and a molecular weight of 752.53 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin
PubChem CID135403279
Molecular FormulaC44H26Cl4N4
Molecular Weight752.53 g/mol
Exact Mass750.09
IUPAC Name5,10,15,20-tetrakis(4-chlorophenyl)-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=C4)C=C3)cc1
InChIInChI=1S/C44H26Cl4N4/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27/h1-24,49,52H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyKLMHOLCGHWVPMP-LWQDQPMZSA-N
XLogP13.94
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.53
LogP ≤ 513.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin (CID 135403279) is 5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(4-chlorophenyl)-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=C4)C=C3)cc1.
What is the InChIKey of 5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin?
The InChIKey is KLMHOLCGHWVPMP-LWQDQPMZSA-N. The full InChI is InChI=1S/C44H26Cl4N4/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27/h1-24,49,52H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-.
What are the key properties of 5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin?
5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin has a molecular weight of 752.53 g/mol, XLogP of 13.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 135403279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).