5,10,15,20-tetrakis(4-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin

C44H18Br4Cl8N4 — CID 10796407

IUPAC5,10,15,20-tetrakis(4-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin
SMILESClc1cc(Br)cc(Cl)c1-c1c2nc(c(-c3c(Cl)cc(Br)cc3Cl)c3ccc([nH]3)c(-c3c(Cl)cc(Br)cc3Cl)c3ccc([nH]3)c(-c3c(Cl)cc(Br)cc3Cl)c3nc1C=C3)C=C2
InChIInChI=1S/C44H18Br4Cl8N4/c45-17-9-21(49)37(22(50)10-17)41-29-1-2-30(57-29)42(38-23(51)11-18(46)12-24(38)52)32-5-6-34(59-32)44(40-27(55)15-20(48)16-28(40)56)36-8-7-35(60-36)43(33-4-3-31(41)58-33)39-25(53)13-19(47)14-26(39)54/h1-16,57-58H/b41-29+,41-31+,42-30+,42-32+,43-33+,43-35+,44-34+,44-36+
InChIKeyABSNIRFHQKNWEY-IDGJIBKZSA-N
MW1205.90 g/mol
LogP19.60
Rot. Bonds4

About 5,10,15,20-tetrakis(4-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin

5,10,15,20-tetrakis(4-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin (PubChem CID 10796407) has the molecular formula C44H18Br4Cl8N4 and a molecular weight of 1205.90 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(4-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(4-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin
PubChem CID10796407
Molecular FormulaC44H18Br4Cl8N4
Molecular Weight1205.90 g/mol
Exact Mass1197.58
IUPAC Name5,10,15,20-tetrakis(4-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin
SMILESClc1cc(Br)cc(Cl)c1-c1c2nc(c(-c3c(Cl)cc(Br)cc3Cl)c3ccc([nH]3)c(-c3c(Cl)cc(Br)cc3Cl)c3ccc([nH]3)c(-c3c(Cl)cc(Br)cc3Cl)c3nc1C=C3)C=C2
InChIInChI=1S/C44H18Br4Cl8N4/c45-17-9-21(49)37(22(50)10-17)41-29-1-2-30(57-29)42(38-23(51)11-18(46)12-24(38)52)32-5-6-34(59-32)44(40-27(55)15-20(48)16-28(40)56)36-8-7-35(60-36)43(33-4-3-31(41)58-33)39-25(53)13-19(47)14-26(39)54/h1-16,57-58H/b41-29+,41-31+,42-30+,42-32+,43-33+,43-35+,44-34+,44-36+
InChIKeyABSNIRFHQKNWEY-IDGJIBKZSA-N
XLogP19.60
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001205.90
LogP ≤ 519.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride
CID 135487438
5,10,15-tris(2,6-dibromophenyl)-22,23-dihydro-21H-corrin
CID 137266912
copper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin
CID 174944569
cobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin
CID 175743178
2,6-dibromo-4-[10,15,20-tris(3,5-dibromo-4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 86280290
2,7,12-tris(2,3,4,5,6-pentafluorophenyl)-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(16),2,4,6,8,10,12,14-octaene
CID 102382676
5,10,15,20-tetrakis(2,5-dichlorophenyl)-21,23-dihydroporphyrin;zinc
CID 175086452
[3,5-dibromo-4-[10,15,20-tris(2,6-dibromo-4-trimethylsilylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-trimethylsilane
CID 167499514
15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin
CID 137265355
5-bromo-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
CID 135545252
3,5-dimethyl-4-[10,15,20-tris(4-cyano-2,6-dimethylphenyl)-21,24-dihydroporphyrin-5-yl]benzonitrile
CID 10771772
5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin;hydrochloride
CID 172772956

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(4-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(4-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin (CID 10796407) is 5,10,15,20-tetrakis(4-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(4-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(4-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin is Clc1cc(Br)cc(Cl)c1-c1c2nc(c(-c3c(Cl)cc(Br)cc3Cl)c3ccc([nH]3)c(-c3c(Cl)cc(Br)cc3Cl)c3ccc([nH]3)c(-c3c(Cl)cc(Br)cc3Cl)c3nc1C=C3)C=C2.
What is the InChIKey of 5,10,15,20-tetrakis(4-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin?
The InChIKey is ABSNIRFHQKNWEY-IDGJIBKZSA-N. The full InChI is InChI=1S/C44H18Br4Cl8N4/c45-17-9-21(49)37(22(50)10-17)41-29-1-2-30(57-29)42(38-23(51)11-18(46)12-24(38)52)32-5-6-34(59-32)44(40-27(55)15-20(48)16-28(40)56)36-8-7-35(60-36)43(33-4-3-31(41)58-33)39-25(53)13-19(47)14-26(39)54/h1-16,57-58H/b41-29+,41-31+,42-30+,42-32+,43-33+,43-35+,44-34+,44-36+.
What are the key properties of 5,10,15,20-tetrakis(4-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin?
5,10,15,20-tetrakis(4-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin has a molecular weight of 1205.90 g/mol, XLogP of 19.60, 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-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin is sourced from PubChem (CID 10796407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).