16,16,32,32-tetramethyl-7,7,23,23-tetrakis(4-methylphenyl)-11,27-dithianonacyclo[17.13.0.03,17.04,15.06,13.08,12.020,31.022,29.024,28]dotriaconta-1(19),2,4,6(13),8(12),9,14,17,20,22(29),24(28),25,30-tridecaene

C62H50S2 — CID 118501407

IUPAC16,16,32,32-tetramethyl-7,7,23,23-tetrakis(4-methylphenyl)-11,27-dithianonacyclo[17.13.0.03,17.04,15.06,13.08,12.020,31.022,29.024,28]dotriaconta-1(19),2,4,6(13),8(12),9,14,17,20,22(29),24(28),25,30-tridecaene
SMILESCc1ccc(C2(c3ccc(C)cc3)c3cc4c(cc3-c3sccc32)C(C)(C)c2cc3c(cc2-4)C(C)(C)c2cc4c(cc2-3)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccsc2-4)cc1
InChIInChI=1S/C62H50S2/c1-35-9-17-39(18-10-35)61(40-19-11-36(2)12-20-40)49-25-27-63-57(49)47-33-53-45(31-55(47)61)43-29-52-44(30-51(43)59(53,5)6)46-32-56-48(34-54(46)60(52,7)8)58-50(26-28-64-58)62(56,41-21-13-37(3)14-22-41)42-23-15-38(4)16-24-42/h9-34H,1-8H3
InChIKeyFGSQVERLZGOVFU-UHFFFAOYSA-N
MW859.22 g/mol
LogP16.38
Rot. Bonds4

About 16,16,32,32-tetramethyl-7,7,23,23-tetrakis(4-methylphenyl)-11,27-dithianonacyclo[17.13.0.03,17.04,15.06,13.08,12.020,31.022,29.024,28]dotriaconta-1(19),2,4,6(13),8(12),9,14,17,20,22(29),24(28),25,30-tridecaene

16,16,32,32-tetramethyl-7,7,23,23-tetrakis(4-methylphenyl)-11,27-dithianonacyclo[17.13.0.03,17.04,15.06,13.08,12.020,31.022,29.024,28]dotriaconta-1(19),2,4,6(13),8(12),9,14,17,20,22(29),24(28),25,30-tridecaene (PubChem CID 118501407) has the molecular formula C62H50S2 and a molecular weight of 859.22 g/mol. Its IUPAC name is 16,16,32,32-tetramethyl-7,7,23,23-tetrakis(4-methylphenyl)-11,27-dithianonacyclo[17.13.0.03,17.04,15.06,13.08,12.020,31.022,29.024,28]dotriaconta-1(19),2,4,6(13),8(12),9,14,17,20,22(29),24(28),25,30-tridecaene.

Molecular Properties

Compound Name16,16,32,32-tetramethyl-7,7,23,23-tetrakis(4-methylphenyl)-11,27-dithianonacyclo[17.13.0.03,17.04,15.06,13.08,12.020,31.022,29.024,28]dotriaconta-1(19),2,4,6(13),8(12),9,14,17,20,22(29),24(28),25,30-tridecaene
PubChem CID118501407
Molecular FormulaC62H50S2
Molecular Weight859.22 g/mol
Exact Mass858.34
IUPAC Name16,16,32,32-tetramethyl-7,7,23,23-tetrakis(4-methylphenyl)-11,27-dithianonacyclo[17.13.0.03,17.04,15.06,13.08,12.020,31.022,29.024,28]dotriaconta-1(19),2,4,6(13),8(12),9,14,17,20,22(29),24(28),25,30-tridecaene
SMILESCc1ccc(C2(c3ccc(C)cc3)c3cc4c(cc3-c3sccc32)C(C)(C)c2cc3c(cc2-4)C(C)(C)c2cc4c(cc2-3)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccsc2-4)cc1
InChIInChI=1S/C62H50S2/c1-35-9-17-39(18-10-35)61(40-19-11-36(2)12-20-40)49-25-27-63-57(49)47-33-53-45(31-55(47)61)43-29-52-44(30-51(43)59(53,5)6)46-32-56-48(34-54(46)60(52,7)8)58-50(26-28-64-58)62(56,41-21-13-37(3)14-22-41)42-23-15-38(4)16-24-42/h9-34H,1-8H3
InChIKeyFGSQVERLZGOVFU-UHFFFAOYSA-N
XLogP16.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.22
LogP ≤ 516.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 16,16,32,32-tetramethyl-7,7,23,23-tetrakis(4-methylphenyl)-11,27-dithianonacyclo[17.13.0.03,17.04,15.06,13.08,12.020,31.022,29.024,28]dotriaconta-1(19),2,4,6(13),8(12),9,14,17,20,22(29),24(28),25,30-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16,16,32,32-tetramethyl-7,7,23,23-tetrakis(4-methylphenyl)-11,27-dithianonacyclo[17.13.0.03,17.04,15.06,13.08,12.020,31.022,29.024,28]dotriaconta-1(19),2,4,6(13),8(12),9,14,17,20,22(29),24(28),25,30-tridecaene?
The IUPAC name of 16,16,32,32-tetramethyl-7,7,23,23-tetrakis(4-methylphenyl)-11,27-dithianonacyclo[17.13.0.03,17.04,15.06,13.08,12.020,31.022,29.024,28]dotriaconta-1(19),2,4,6(13),8(12),9,14,17,20,22(29),24(28),25,30-tridecaene (CID 118501407) is 16,16,32,32-tetramethyl-7,7,23,23-tetrakis(4-methylphenyl)-11,27-dithianonacyclo[17.13.0.03,17.04,15.06,13.08,12.020,31.022,29.024,28]dotriaconta-1(19),2,4,6(13),8(12),9,14,17,20,22(29),24(28),25,30-tridecaene.
What is the SMILES notation for 16,16,32,32-tetramethyl-7,7,23,23-tetrakis(4-methylphenyl)-11,27-dithianonacyclo[17.13.0.03,17.04,15.06,13.08,12.020,31.022,29.024,28]dotriaconta-1(19),2,4,6(13),8(12),9,14,17,20,22(29),24(28),25,30-tridecaene?
The canonical SMILES for 16,16,32,32-tetramethyl-7,7,23,23-tetrakis(4-methylphenyl)-11,27-dithianonacyclo[17.13.0.03,17.04,15.06,13.08,12.020,31.022,29.024,28]dotriaconta-1(19),2,4,6(13),8(12),9,14,17,20,22(29),24(28),25,30-tridecaene is Cc1ccc(C2(c3ccc(C)cc3)c3cc4c(cc3-c3sccc32)C(C)(C)c2cc3c(cc2-4)C(C)(C)c2cc4c(cc2-3)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccsc2-4)cc1.
What is the InChIKey of 16,16,32,32-tetramethyl-7,7,23,23-tetrakis(4-methylphenyl)-11,27-dithianonacyclo[17.13.0.03,17.04,15.06,13.08,12.020,31.022,29.024,28]dotriaconta-1(19),2,4,6(13),8(12),9,14,17,20,22(29),24(28),25,30-tridecaene?
The InChIKey is FGSQVERLZGOVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50S2/c1-35-9-17-39(18-10-35)61(40-19-11-36(2)12-20-40)49-25-27-63-57(49)47-33-53-45(31-55(47)61)43-29-52-44(30-51(43)59(53,5)6)46-32-56-48(34-54(46)60(52,7)8)58-50(26-28-64-58)62(56,41-21-13-37(3)14-22-41)42-23-15-38(4)16-24-42/h9-34H,1-8H3.
What are the key properties of 16,16,32,32-tetramethyl-7,7,23,23-tetrakis(4-methylphenyl)-11,27-dithianonacyclo[17.13.0.03,17.04,15.06,13.08,12.020,31.022,29.024,28]dotriaconta-1(19),2,4,6(13),8(12),9,14,17,20,22(29),24(28),25,30-tridecaene?
16,16,32,32-tetramethyl-7,7,23,23-tetrakis(4-methylphenyl)-11,27-dithianonacyclo[17.13.0.03,17.04,15.06,13.08,12.020,31.022,29.024,28]dotriaconta-1(19),2,4,6(13),8(12),9,14,17,20,22(29),24(28),25,30-tridecaene has a molecular weight of 859.22 g/mol, XLogP of 16.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16,32,32-tetramethyl-7,7,23,23-tetrakis(4-methylphenyl)-11,27-dithianonacyclo[17.13.0.03,17.04,15.06,13.08,12.020,31.022,29.024,28]dotriaconta-1(19),2,4,6(13),8(12),9,14,17,20,22(29),24(28),25,30-tridecaene is sourced from PubChem (CID 118501407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).