4-[10,15,20-tris(2,6-dichlorophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonyl chloride

C44H23Cl7N4O2S — CID 135749835

IUPAC4-[10,15,20-tris(2,6-dichlorophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2c3nc(c(-c4c(Cl)cccc4Cl)c4ccc([nH]4)c(-c4c(Cl)cccc4Cl)c4nc(c(-c5c(Cl)cccc5Cl)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C44H23Cl7N4O2S/c45-24-4-1-5-25(46)39(24)42-32-16-14-30(52-32)38(22-10-12-23(13-11-22)58(51,56)57)31-15-17-33(53-31)43(40-26(47)6-2-7-27(40)48)35-19-21-37(55-35)44(36-20-18-34(42)54-36)41-28(49)8-3-9-29(41)50/h1-21,52,55H/b38-30-,38-31-,42-32+,42-34+,43-33+,43-35+,44-36+,44-37+
InChIKeyZAUIMMNBIRJKCS-BEJVYYKOSA-N
MW919.93 g/mol
LogP15.17
Rot. Bonds5

About 4-[10,15,20-tris(2,6-dichlorophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonyl chloride

4-[10,15,20-tris(2,6-dichlorophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonyl chloride (PubChem CID 135749835) has the molecular formula C44H23Cl7N4O2S and a molecular weight of 919.93 g/mol. Its IUPAC name is 4-[10,15,20-tris(2,6-dichlorophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[10,15,20-tris(2,6-dichlorophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonyl chloride
PubChem CID135749835
Molecular FormulaC44H23Cl7N4O2S
Molecular Weight919.93 g/mol
Exact Mass915.94
IUPAC Name4-[10,15,20-tris(2,6-dichlorophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2c3nc(c(-c4c(Cl)cccc4Cl)c4ccc([nH]4)c(-c4c(Cl)cccc4Cl)c4nc(c(-c5c(Cl)cccc5Cl)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C44H23Cl7N4O2S/c45-24-4-1-5-25(46)39(24)42-32-16-14-30(52-32)38(22-10-12-23(13-11-22)58(51,56)57)31-15-17-33(53-31)43(40-26(47)6-2-7-27(40)48)35-19-21-37(55-35)44(36-20-18-34(42)54-36)41-28(49)8-3-9-29(41)50/h1-21,52,55H/b38-30-,38-31-,42-32+,42-34+,43-33+,43-35+,44-36+,44-37+
InChIKeyZAUIMMNBIRJKCS-BEJVYYKOSA-N
XLogP15.17
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.93
LogP ≤ 515.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,10,15-tris(2,6-dichlorophenyl)-20-(4-nitrophenyl)-21,23-dihydroporphyrin
CID 141330427
ruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride
CID 135487438
4-[4-[10,15,20-tris[4-(4-sulfophenyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]benzenesulfonic acid
CID 177413209
4-[10,15-diphenyl-20-(4-sulfophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonic acid
CID 135431079
4-[10,20-dihydroxy-15-(4-sulfophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonic acid
CID 136917778
trihydroxy-[4-[10,15,20-tris[4-(trihydroxy-lambda4-sulfanyl)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-lambda4-sulfane
CID 5289351
4-[10,20-bis(4-aminophenyl)-15-(4-sulfophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonic acid
CID 135488164
triazanium;4-[20-(4-aminophenyl)-10,15-bis(4-sulfonatophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonate
CID 137314525
4-[10,15-dipyridin-4-yl-20-(4-sulfophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonic acid
CID 135474866
4-[10,20-dipyridin-4-yl-15-(4-sulfophenyl)-21,22-dihydroporphyrin-5-yl]benzenesulfonic acid
CID 10259639
4-[20-(4-methoxyphenyl)-10,15-bis(4-sulfonatophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonate
CID 136803851
copper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin
CID 174944569

Frequently Asked Questions

What is the IUPAC name of 4-[10,15,20-tris(2,6-dichlorophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonyl chloride?
The IUPAC name of 4-[10,15,20-tris(2,6-dichlorophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonyl chloride (CID 135749835) is 4-[10,15,20-tris(2,6-dichlorophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[10,15,20-tris(2,6-dichlorophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonyl chloride?
The canonical SMILES for 4-[10,15,20-tris(2,6-dichlorophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-c2c3nc(c(-c4c(Cl)cccc4Cl)c4ccc([nH]4)c(-c4c(Cl)cccc4Cl)c4nc(c(-c5c(Cl)cccc5Cl)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 4-[10,15,20-tris(2,6-dichlorophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonyl chloride?
The InChIKey is ZAUIMMNBIRJKCS-BEJVYYKOSA-N. The full InChI is InChI=1S/C44H23Cl7N4O2S/c45-24-4-1-5-25(46)39(24)42-32-16-14-30(52-32)38(22-10-12-23(13-11-22)58(51,56)57)31-15-17-33(53-31)43(40-26(47)6-2-7-27(40)48)35-19-21-37(55-35)44(36-20-18-34(42)54-36)41-28(49)8-3-9-29(41)50/h1-21,52,55H/b38-30-,38-31-,42-32+,42-34+,43-33+,43-35+,44-36+,44-37+.
What are the key properties of 4-[10,15,20-tris(2,6-dichlorophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonyl chloride?
4-[10,15,20-tris(2,6-dichlorophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonyl chloride has a molecular weight of 919.93 g/mol, XLogP of 15.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10,15,20-tris(2,6-dichlorophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonyl chloride is sourced from PubChem (CID 135749835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).