7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene

C24H16S2 — CID 156529970

IUPAC7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
SMILESCc1ccc2c(c1)sc1cc3cc4sc5cc(C)ccc5c4cc3cc12
InChIInChI=1S/C24H16S2/c1-13-3-5-17-19-9-15-10-20-18-6-4-14(2)8-22(18)26-24(20)12-16(15)11-23(19)25-21(17)7-13/h3-12H,1-2H3
InChIKeyYSHPYBMSKCAIDN-UHFFFAOYSA-N
MW368.53 g/mol
LogP8.19
Rot. Bonds

About 7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene

7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene (PubChem CID 156529970) has the molecular formula C24H16S2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene.

Molecular Properties

Compound Name7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
PubChem CID156529970
Molecular FormulaC24H16S2
Molecular Weight368.53 g/mol
Exact Mass368.07
IUPAC Name7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
SMILESCc1ccc2c(c1)sc1cc3cc4sc5cc(C)ccc5c4cc3cc12
InChIInChI=1S/C24H16S2/c1-13-3-5-17-19-9-15-10-20-18-6-4-14(2)8-22(18)26-24(20)12-16(15)11-23(19)25-21(17)7-13/h3-12H,1-2H3
InChIKeyYSHPYBMSKCAIDN-UHFFFAOYSA-N
XLogP8.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.53
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene with MolForge

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Related Compounds

9,23-dimethyl-14,26-dithiaheptacyclo[15.11.0.03,15.04,13.07,12.019,27.020,25]octacosa-1(28),2,4(13),5,7(12),8,10,15,17,19(27),20(25),21,23-tridecaene
CID 70935740
7-N,7-N,19-N,19-N-tetrakis(3,5-dimethylphenyl)-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303351
6-methyl-3,11-dithiapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,12,14,16,18-nonaene
CID 118333927
12,32-dimethyl-15,22,29-trithiaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(23),2(21),3,6,8(16),9(14),10,12,17,19,24,26,28(36),30(35),31,33,37,40-octadecaene
CID 70935750
N,17-dimethyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 126614110
7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole
CID 146520517
6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 155358638
8,22-dimethyl-3,15,27-trithiaheptacyclo[14.11.0.02,14.04,13.06,11.017,26.019,24]heptacosa-1(16),2(14),4(13),5,7,9,11,17(26),18,20,22,24-dodecaene
CID 126491862
3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole
CID 143237418
4,7-dimethylthiochromene-2-thione
CID 12630081
2,5-bis[(E)-2-(7-methyldibenzothiophen-3-yl)ethenyl]pyrazine
CID 59500086
4-fluoro-3,7-dimethyldibenzothiophene
CID 146657158

Frequently Asked Questions

What is the IUPAC name of 7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?
The IUPAC name of 7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene (CID 156529970) is 7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene.
What is the SMILES notation for 7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?
The canonical SMILES for 7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene is Cc1ccc2c(c1)sc1cc3cc4sc5cc(C)ccc5c4cc3cc12.
What is the InChIKey of 7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?
The InChIKey is YSHPYBMSKCAIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16S2/c1-13-3-5-17-19-9-15-10-20-18-6-4-14(2)8-22(18)26-24(20)12-16(15)11-23(19)25-21(17)7-13/h3-12H,1-2H3.
What are the key properties of 7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?
7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene has a molecular weight of 368.53 g/mol, XLogP of 8.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene is sourced from PubChem (CID 156529970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).