5,5,19,19,33,33-hexamethyl-19λ4-thianonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene

C40H34S — CID 146356929

IUPAC5,5,19,19,33,33-hexamethyl-19λ4-thianonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
SMILESCC1(C)c2cc3c(cc2-c2c1ccc1ccccc21)S(C)(C)c1cc2c(cc1-3)C(C)(C)c1ccc3ccccc3c1-2
InChIInChI=1S/C40H34S/c1-39(2)31-17-15-23-11-7-9-13-25(23)37(31)29-21-35-27(19-33(29)39)28-20-34-30(22-36(28)41(35,5)6)38-26-14-10-8-12-24(26)16-18-32(38)40(34,3)4/h7-22H,1-6H3
InChIKeyWENYWRILGYDNFW-UHFFFAOYSA-N
MW546.78 g/mol
LogP11.07
Rot. Bonds

About 5,5,19,19,33,33-hexamethyl-19λ4-thianonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene

5,5,19,19,33,33-hexamethyl-19λ4-thianonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene (PubChem CID 146356929) has the molecular formula C40H34S and a molecular weight of 546.78 g/mol. Its IUPAC name is 5,5,19,19,33,33-hexamethyl-19λ4-thianonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene.

Molecular Properties

Compound Name5,5,19,19,33,33-hexamethyl-19λ4-thianonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
PubChem CID146356929
Molecular FormulaC40H34S
Molecular Weight546.78 g/mol
Exact Mass546.24
IUPAC Name5,5,19,19,33,33-hexamethyl-19λ4-thianonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
SMILESCC1(C)c2cc3c(cc2-c2c1ccc1ccccc21)S(C)(C)c1cc2c(cc1-3)C(C)(C)c1ccc3ccccc3c1-2
InChIInChI=1S/C40H34S/c1-39(2)31-17-15-23-11-7-9-13-25(23)37(31)29-21-35-27(19-33(29)39)28-20-34-30(22-36(28)41(35,5)6)38-26-14-10-8-12-24(26)16-18-32(38)40(34,3)4/h7-22H,1-6H3
InChIKeyWENYWRILGYDNFW-UHFFFAOYSA-N
XLogP11.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.78
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,5,19,19,33,33-hexamethyl-19λ4-thianonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5,19,19,33,33-hexamethyl-19λ4-thianonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene?
The IUPAC name of 5,5,19,19,33,33-hexamethyl-19λ4-thianonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene (CID 146356929) is 5,5,19,19,33,33-hexamethyl-19λ4-thianonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene.
What is the SMILES notation for 5,5,19,19,33,33-hexamethyl-19λ4-thianonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene?
The canonical SMILES for 5,5,19,19,33,33-hexamethyl-19λ4-thianonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene is CC1(C)c2cc3c(cc2-c2c1ccc1ccccc21)S(C)(C)c1cc2c(cc1-3)C(C)(C)c1ccc3ccccc3c1-2.
What is the InChIKey of 5,5,19,19,33,33-hexamethyl-19λ4-thianonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene?
The InChIKey is WENYWRILGYDNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34S/c1-39(2)31-17-15-23-11-7-9-13-25(23)37(31)29-21-35-27(19-33(29)39)28-20-34-30(22-36(28)41(35,5)6)38-26-14-10-8-12-24(26)16-18-32(38)40(34,3)4/h7-22H,1-6H3.
What are the key properties of 5,5,19,19,33,33-hexamethyl-19λ4-thianonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene?
5,5,19,19,33,33-hexamethyl-19λ4-thianonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene has a molecular weight of 546.78 g/mol, XLogP of 11.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,19,19,33,33-hexamethyl-19λ4-thianonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene is sourced from PubChem (CID 146356929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).