10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene

C60H56N4O8S4 — CID 100934368

IUPAC10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene
SMILESCc1ccc(S(=O)(=O)N2Cc3cc4cc(c3)-c3cc5cc(c3)CN(S(=O)(=O)c3ccc(C)cc3)Cc3cc(cc(c3)-c3cc(cc(c3)CN(S(=O)(=O)c3ccc(C)cc3)C4)C2)CN(S(=O)(=O)c2ccc(C)cc2)C5)cc1
InChIInChI=1S/C60H56N4O8S4/c1-41-5-13-57(14-6-41)73(65,66)61-33-45-21-47-27-53(25-45)55-29-49-23-51(31-55)39-64(76(71,72)60-19-11-44(4)12-20-60)40-52-24-50(38-63(37-49)75(69,70)59-17-9-43(3)10-18-59)30-56(32-52)54-26-46(34-61)22-48(28-54)36-62(35-47)74(67,68)58-15-7-42(2)8-16-58/h5-32H,33-40H2,1-4H3
InChIKeyHEPZSGULDLFNHM-UHFFFAOYSA-N
MW1089.40 g/mol
LogP10.76
Rot. Bonds8

About 10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene

10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene (PubChem CID 100934368) has the molecular formula C60H56N4O8S4 and a molecular weight of 1089.40 g/mol. Its IUPAC name is 10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene.

Molecular Properties

Compound Name10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene
PubChem CID100934368
Molecular FormulaC60H56N4O8S4
Molecular Weight1089.40 g/mol
Exact Mass1088.30
IUPAC Name10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene
SMILESCc1ccc(S(=O)(=O)N2Cc3cc4cc(c3)-c3cc5cc(c3)CN(S(=O)(=O)c3ccc(C)cc3)Cc3cc(cc(c3)-c3cc(cc(c3)CN(S(=O)(=O)c3ccc(C)cc3)C4)C2)CN(S(=O)(=O)c2ccc(C)cc2)C5)cc1
InChIInChI=1S/C60H56N4O8S4/c1-41-5-13-57(14-6-41)73(65,66)61-33-45-21-47-27-53(25-45)55-29-49-23-51(31-55)39-64(76(71,72)60-19-11-44(4)12-20-60)40-52-24-50(38-63(37-49)75(69,70)59-17-9-43(3)10-18-59)30-56(32-52)54-26-46(34-61)22-48(28-54)36-62(35-47)74(67,68)58-15-7-42(2)8-16-58/h5-32H,33-40H2,1-4H3
InChIKeyHEPZSGULDLFNHM-UHFFFAOYSA-N
XLogP10.76
TPSA149.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001089.40
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene with MolForge

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Related Compounds

4,12,17,25-tetrakis(bromomethyl)-8,21-bis-(4-methylphenyl)sulfonyl-8,21-diazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(27),2(30),3,5,10,12,14(29),15(28),16,18,23,25-dodecaene
CID 10629954
3,21-bis[(4-tert-butylphenyl)sulfonyl]-8,34-bis-(4-methylphenyl)sulfonyl-3,8,16,21,26,34-hexazaoctacyclo[21.13.1.15,19.16,18.110,14.124,36.128,32.012,30]dotetraconta-1(36),5,10,12,14(42),18(41),19(40),23(37),24(38),28(39),29,31-dodecaene
CID 100934370
3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 102578903
3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 14174967
2-(4-methylphenyl)sulfonyl-5,6-diphenyl-1,3-dihydroisoindole
CID 134951286
3,11-bis-(4-methylphenyl)sulfonyl-3,7,11-triazabicyclo[11.3.1]heptadeca-1(17),13,15-triene
CID 11800633
2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
CID 11268113
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
5,6-bis(bromomethyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
CID 138981305
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene?
The IUPAC name of 10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene (CID 100934368) is 10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene.
What is the SMILES notation for 10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene?
The canonical SMILES for 10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene is Cc1ccc(S(=O)(=O)N2Cc3cc4cc(c3)-c3cc5cc(c3)CN(S(=O)(=O)c3ccc(C)cc3)Cc3cc(cc(c3)-c3cc(cc(c3)CN(S(=O)(=O)c3ccc(C)cc3)C4)C2)CN(S(=O)(=O)c2ccc(C)cc2)C5)cc1.
What is the InChIKey of 10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene?
The InChIKey is HEPZSGULDLFNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H56N4O8S4/c1-41-5-13-57(14-6-41)73(65,66)61-33-45-21-47-27-53(25-45)55-29-49-23-51(31-55)39-64(76(71,72)60-19-11-44(4)12-20-60)40-52-24-50(38-63(37-49)75(69,70)59-17-9-43(3)10-18-59)30-56(32-52)54-26-46(34-61)22-48(28-54)36-62(35-47)74(67,68)58-15-7-42(2)8-16-58/h5-32H,33-40H2,1-4H3.
What are the key properties of 10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene?
10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene has a molecular weight of 1089.40 g/mol, XLogP of 10.76, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene is sourced from PubChem (CID 100934368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).