N,N-bis(pyridin-2-ylmethyl)-4-[10,15,20-tris[4-[bis(pyridin-2-ylmethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide

C92H74N16O8S4 — CID 102189252

IUPACN,N-bis(pyridin-2-ylmethyl)-4-[10,15,20-tris[4-[bis(pyridin-2-ylmethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(-c2c3nc(c(-c4ccc(S(=O)(=O)N(Cc5ccccn5)Cc5ccccn5)cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)N(Cc5ccccn5)Cc5ccccn5)cc4)c4nc(c(-c5ccc(S(=O)(=O)N(Cc6ccccn6)Cc6ccccn6)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C92H74N16O8S4/c109-117(110,105(57-69-17-1-9-49-93-69)58-70-18-2-10-50-94-70)77-33-25-65(26-34-77)89-81-41-43-83(101-81)90(66-27-35-78(36-28-66)118(111,112)106(59-71-19-3-11-51-95-71)60-72-20-4-12-52-96-72)85-45-47-87(103-85)92(68-31-39-80(40-32-68)120(115,116)108(63-75-23-7-15-55-99-75)64-76-24-8-16-56-100-76)88-48-46-86(104-88)91(84-44-42-82(89)102-84)67-29-37-79(38-30-67)119(113,114)107(61-73-21-5-13-53-97-73)62-74-22-6-14-54-98-74/h1-56,101,104H,57-64H2/b89-81-,89-82-,90-83-,90-85-,91-84-,91-86-,92-87-,92-88-
InChIKeyAQIRNGVYOLZZCD-FNNPUSOKSA-N
MW1659.98 g/mol
LogP16.05
Rot. Bonds28

About N,N-bis(pyridin-2-ylmethyl)-4-[10,15,20-tris[4-[bis(pyridin-2-ylmethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide

N,N-bis(pyridin-2-ylmethyl)-4-[10,15,20-tris[4-[bis(pyridin-2-ylmethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide (PubChem CID 102189252) has the molecular formula C92H74N16O8S4 and a molecular weight of 1659.98 g/mol. Its IUPAC name is N,N-bis(pyridin-2-ylmethyl)-4-[10,15,20-tris[4-[bis(pyridin-2-ylmethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-bis(pyridin-2-ylmethyl)-4-[10,15,20-tris[4-[bis(pyridin-2-ylmethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide
PubChem CID102189252
Molecular FormulaC92H74N16O8S4
Molecular Weight1659.98 g/mol
Exact Mass1658.48
IUPAC NameN,N-bis(pyridin-2-ylmethyl)-4-[10,15,20-tris[4-[bis(pyridin-2-ylmethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(-c2c3nc(c(-c4ccc(S(=O)(=O)N(Cc5ccccn5)Cc5ccccn5)cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)N(Cc5ccccn5)Cc5ccccn5)cc4)c4nc(c(-c5ccc(S(=O)(=O)N(Cc6ccccn6)Cc6ccccn6)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C92H74N16O8S4/c109-117(110,105(57-69-17-1-9-49-93-69)58-70-18-2-10-50-94-70)77-33-25-65(26-34-77)89-81-41-43-83(101-81)90(66-27-35-78(36-28-66)118(111,112)106(59-71-19-3-11-51-95-71)60-72-20-4-12-52-96-72)85-45-47-87(103-85)92(68-31-39-80(40-32-68)120(115,116)108(63-75-23-7-15-55-99-75)64-76-24-8-16-56-100-76)88-48-46-86(104-88)91(84-44-42-82(89)102-84)67-29-37-79(38-30-67)119(113,114)107(61-73-21-5-13-53-97-73)62-74-22-6-14-54-98-74/h1-56,101,104H,57-64H2/b89-81-,89-82-,90-83-,90-85-,91-84-,91-86-,92-87-,92-88-
InChIKeyAQIRNGVYOLZZCD-FNNPUSOKSA-N
XLogP16.05
TPSA310.00 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001659.98
LogP ≤ 516.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze N,N-bis(pyridin-2-ylmethyl)-4-[10,15,20-tris[4-[bis(pyridin-2-ylmethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide with MolForge

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Related Compounds

Tmpyp
CID 135442972
Tetrakis(4-methylbenzenesulfonate);5,10,15,20-tetrakis(3-fluoro-1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin
CID 44281637
5-[4-[1-(Benzenesulfonyl)indol-3-yl]phenyl]-10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin trichloride
CID 135860205
5-[5-(9,9-Dimethylfluoren-2-yl)-1-methylpyridin-1-ium-3-yl]-10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin;tetrakis(4-methylbenzenesulfonate)
CID 135860226
Tetrasodium;4-[2,7,17-tris(4-sulfonatophenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-12-yl]benzenesulfonate
CID 135981337
Tetrakis(4-methylbenzenesulfonate);trimethyl-[4-[10-(trimethylazaniumyl)-15,20-bis[4-(trimethylazaniumyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]azanium
CID 136117824
4-Methylbenzenesulfonate;trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]azanium
CID 11979964
5,10,15,20-Tetrakis(1-methyl-4-pyridinio)porphyrin tetra(p-toluenesulfonate)
CID 135741606
Tetrakis(4-sulfonatophenyl)porphyrin
CID 135495898
tetrakis(N-ethylpyridinium-4-yl)porphyrin tetratosylate
CID 155898869
3-[4-[10,15,20-Tris[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]-21,24-dihydroporphyrin-5-yl]pyridin-1-ium-1-yl]propane-1-sulfonate;hydrochloride
CID 49860867
2-[4-[10,15,20-Tris[1-(2-sulfonatoethyl)pyridin-1-ium-4-yl]-21,24-dihydroporphyrin-5-yl]pyridin-1-ium-1-yl]ethanesulfonate;hydrochloride
CID 49860868

Frequently Asked Questions

What is the IUPAC name of N,N-bis(pyridin-2-ylmethyl)-4-[10,15,20-tris[4-[bis(pyridin-2-ylmethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide?
The IUPAC name of N,N-bis(pyridin-2-ylmethyl)-4-[10,15,20-tris[4-[bis(pyridin-2-ylmethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide (CID 102189252) is N,N-bis(pyridin-2-ylmethyl)-4-[10,15,20-tris[4-[bis(pyridin-2-ylmethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide.
What is the SMILES notation for N,N-bis(pyridin-2-ylmethyl)-4-[10,15,20-tris[4-[bis(pyridin-2-ylmethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide?
The canonical SMILES for N,N-bis(pyridin-2-ylmethyl)-4-[10,15,20-tris[4-[bis(pyridin-2-ylmethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide is O=S(=O)(c1ccc(-c2c3nc(c(-c4ccc(S(=O)(=O)N(Cc5ccccn5)Cc5ccccn5)cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)N(Cc5ccccn5)Cc5ccccn5)cc4)c4nc(c(-c5ccc(S(=O)(=O)N(Cc6ccccn6)Cc6ccccn6)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)N(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of N,N-bis(pyridin-2-ylmethyl)-4-[10,15,20-tris[4-[bis(pyridin-2-ylmethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide?
The InChIKey is AQIRNGVYOLZZCD-FNNPUSOKSA-N. The full InChI is InChI=1S/C92H74N16O8S4/c109-117(110,105(57-69-17-1-9-49-93-69)58-70-18-2-10-50-94-70)77-33-25-65(26-34-77)89-81-41-43-83(101-81)90(66-27-35-78(36-28-66)118(111,112)106(59-71-19-3-11-51-95-71)60-72-20-4-12-52-96-72)85-45-47-87(103-85)92(68-31-39-80(40-32-68)120(115,116)108(63-75-23-7-15-55-99-75)64-76-24-8-16-56-100-76)88-48-46-86(104-88)91(84-44-42-82(89)102-84)67-29-37-79(38-30-67)119(113,114)107(61-73-21-5-13-53-97-73)62-74-22-6-14-54-98-74/h1-56,101,104H,57-64H2/b89-81-,89-82-,90-83-,90-85-,91-84-,91-86-,92-87-,92-88-.
What are the key properties of N,N-bis(pyridin-2-ylmethyl)-4-[10,15,20-tris[4-[bis(pyridin-2-ylmethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide?
N,N-bis(pyridin-2-ylmethyl)-4-[10,15,20-tris[4-[bis(pyridin-2-ylmethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide has a molecular weight of 1659.98 g/mol, XLogP of 16.05, 28 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(pyridin-2-ylmethyl)-4-[10,15,20-tris[4-[bis(pyridin-2-ylmethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide is sourced from PubChem (CID 102189252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).