N-[2-(diethylamino)ethyl]-4-[7,12,17-tris[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzenesulfonamide;2,7,12,17-tetraphenyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene

C114H118N14O8S4 — CID 159762378

IUPACN-[2-(diethylamino)ethyl]-4-[7,12,17-tris[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzenesulfonamide;2,7,12,17-tetraphenyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene
SMILESC1=Cc2cc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.CCN(CC)CCNS(=O)(=O)c1ccc(-c2c3cc(c(-c4ccc(S(=O)(=O)NCCN(CC)CC)cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)NCCN(CC)CC)cc4)c4nc(c(-c5ccc(S(=O)(=O)NCCN(CC)CC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C69H87N11O8S4.C45H31N3/c1-9-77(10-2)45-41-70-89(81,82)56-27-19-50(20-28-56)66-54-17-18-55(49-54)67(51-21-29-57(30-22-51)90(83,84)71-42-46-78(11-3)12-4)61-36-38-63(75-61)69(53-25-33-59(34-26-53)92(87,88)73-44-48-80(15-7)16-8)65-40-39-64(76-65)68(62-37-35-60(66)74-62)52-23-31-58(32-24-52)91(85,86)72-43-47-79(13-5)14-6;1-5-13-30(14-6-1)42-34-21-22-35(29-34)43(31-15-7-2-8-16-31)37-24-26-39(47-37)45(33-19-11-4-12-20-33)41-28-27-40(48-41)44(32-17-9-3-10-18-32)38-25-23-36(42)46-38/h17-40,49,70-75H,9-16,41-48H2,1-8H3;1-29,46-47H/b66-54-,66-60-,67-55-,67-61-,68-62-,68-64-,69-63-,69-65-;42-34-,42-36-,43-35-,43-37-,44-38-,44-40-,45-39-,45-41-
InChIKeyNFBDSMUJBJMXOG-AECILNPJSA-N
MW1940.56 g/mol
LogP22.34
Rot. Bonds36

About N-[2-(diethylamino)ethyl]-4-[7,12,17-tris[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzenesulfonamide;2,7,12,17-tetraphenyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene

N-[2-(diethylamino)ethyl]-4-[7,12,17-tris[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzenesulfonamide;2,7,12,17-tetraphenyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene (PubChem CID 159762378) has the molecular formula C114H118N14O8S4 and a molecular weight of 1940.56 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[7,12,17-tris[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzenesulfonamide;2,7,12,17-tetraphenyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[7,12,17-tris[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzenesulfonamide;2,7,12,17-tetraphenyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene
PubChem CID159762378
Molecular FormulaC114H118N14O8S4
Molecular Weight1940.56 g/mol
Exact Mass1938.81
IUPAC NameN-[2-(diethylamino)ethyl]-4-[7,12,17-tris[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzenesulfonamide;2,7,12,17-tetraphenyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene
SMILESC1=Cc2cc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.CCN(CC)CCNS(=O)(=O)c1ccc(-c2c3cc(c(-c4ccc(S(=O)(=O)NCCN(CC)CC)cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)NCCN(CC)CC)cc4)c4nc(c(-c5ccc(S(=O)(=O)NCCN(CC)CC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C69H87N11O8S4.C45H31N3/c1-9-77(10-2)45-41-70-89(81,82)56-27-19-50(20-28-56)66-54-17-18-55(49-54)67(51-21-29-57(30-22-51)90(83,84)71-42-46-78(11-3)12-4)61-36-38-63(75-61)69(53-25-33-59(34-26-53)92(87,88)73-44-48-80(15-7)16-8)65-40-39-64(76-65)68(62-37-35-60(66)74-62)52-23-31-58(32-24-52)91(85,86)72-43-47-79(13-5)14-6;1-5-13-30(14-6-1)42-34-21-22-35(29-34)43(31-15-7-2-8-16-31)37-24-26-39(47-37)45(33-19-11-4-12-20-33)41-28-27-40(48-41)44(32-17-9-3-10-18-32)38-25-23-36(42)46-38/h17-40,49,70-75H,9-16,41-48H2,1-8H3;1-29,46-47H/b66-54-,66-60-,67-55-,67-61-,68-62-,68-64-,69-63-,69-65-;42-34-,42-36-,43-35-,43-37-,44-38-,44-40-,45-39-,45-41-
InChIKeyNFBDSMUJBJMXOG-AECILNPJSA-N
XLogP22.34
TPSA286.58 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds36
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001940.56
LogP ≤ 522.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze N-[2-(diethylamino)ethyl]-4-[7,12,17-tris[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzenesulfonamide;2,7,12,17-tetraphenyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene with MolForge

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Related Compounds

N-[2-(diethylamino)ethyl]-4-[10,15,20-tris[4-[2-(diethylamino)ethylsulfamoyl]phenyl]porphyrin-22,24-diid-5-yl]benzenesulfonamide;iron(2+);propan-2-ol
CID 59896101
4-[10,15-diphenyl-20-(4-sulfophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonic acid
CID 135431079
4-methyl-N-(5,10,15,20-tetraphenyl-23H-porphyrin-21-yl)benzenesulfonamide
CID 15452897
N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562
5,10,15-triphenyl-20-[6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenanthren-3-yl]-21,23-dihydroporphyrin
CID 101030343
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
4-chloro-N-propyl-3-[10,15,20-tris[2-chloro-5-(propylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide
CID 136814601
15-[4-(2-bromoethyl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin
CID 11593008
5,10,15,20-tetrakis(4-dodecylsulfonylphenyl)-21,23-dihydroporphyrin
CID 136900324
zinc 5-[4-(ethoxymethyl)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135782729
4-[4-[10,15,20-tris[4-(4-sulfophenyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]benzenesulfonic acid
CID 177413209
4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[7,12,17-tris[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzenesulfonamide;2,7,12,17-tetraphenyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[7,12,17-tris[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzenesulfonamide;2,7,12,17-tetraphenyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene (CID 159762378) is N-[2-(diethylamino)ethyl]-4-[7,12,17-tris[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzenesulfonamide;2,7,12,17-tetraphenyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[7,12,17-tris[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzenesulfonamide;2,7,12,17-tetraphenyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[7,12,17-tris[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzenesulfonamide;2,7,12,17-tetraphenyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene is C1=Cc2cc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.CCN(CC)CCNS(=O)(=O)c1ccc(-c2c3cc(c(-c4ccc(S(=O)(=O)NCCN(CC)CC)cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)NCCN(CC)CC)cc4)c4nc(c(-c5ccc(S(=O)(=O)NCCN(CC)CC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[7,12,17-tris[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzenesulfonamide;2,7,12,17-tetraphenyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene?
The InChIKey is NFBDSMUJBJMXOG-AECILNPJSA-N. The full InChI is InChI=1S/C69H87N11O8S4.C45H31N3/c1-9-77(10-2)45-41-70-89(81,82)56-27-19-50(20-28-56)66-54-17-18-55(49-54)67(51-21-29-57(30-22-51)90(83,84)71-42-46-78(11-3)12-4)61-36-38-63(75-61)69(53-25-33-59(34-26-53)92(87,88)73-44-48-80(15-7)16-8)65-40-39-64(76-65)68(62-37-35-60(66)74-62)52-23-31-58(32-24-52)91(85,86)72-43-47-79(13-5)14-6;1-5-13-30(14-6-1)42-34-21-22-35(29-34)43(31-15-7-2-8-16-31)37-24-26-39(47-37)45(33-19-11-4-12-20-33)41-28-27-40(48-41)44(32-17-9-3-10-18-32)38-25-23-36(42)46-38/h17-40,49,70-75H,9-16,41-48H2,1-8H3;1-29,46-47H/b66-54-,66-60-,67-55-,67-61-,68-62-,68-64-,69-63-,69-65-;42-34-,42-36-,43-35-,43-37-,44-38-,44-40-,45-39-,45-41-.
What are the key properties of N-[2-(diethylamino)ethyl]-4-[7,12,17-tris[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzenesulfonamide;2,7,12,17-tetraphenyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene?
N-[2-(diethylamino)ethyl]-4-[7,12,17-tris[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzenesulfonamide;2,7,12,17-tetraphenyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene has a molecular weight of 1940.56 g/mol, XLogP of 22.34, 36 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[7,12,17-tris[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzenesulfonamide;2,7,12,17-tetraphenyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene is sourced from PubChem (CID 159762378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).