24-methyl-12-thiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene

C24H16S — CID 144577714

IUPAC24-methyl-12-thiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
SMILESCC1c2cc3ccccc3cc2-c2sc3cc4ccccc4cc3c21
InChIInChI=1S/C24H16S/c1-14-19-10-15-6-2-3-7-16(15)11-20(19)24-23(14)21-12-17-8-4-5-9-18(17)13-22(21)25-24/h2-14H,1H3
InChIKeyGEIUVVOJPXZVTK-UHFFFAOYSA-N
MW336.46 g/mol
LogP7.34
Rot. Bonds

About 24-methyl-12-thiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene

24-methyl-12-thiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene (PubChem CID 144577714) has the molecular formula C24H16S and a molecular weight of 336.46 g/mol. Its IUPAC name is 24-methyl-12-thiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene.

Molecular Properties

Compound Name24-methyl-12-thiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
PubChem CID144577714
Molecular FormulaC24H16S
Molecular Weight336.46 g/mol
Exact Mass336.10
IUPAC Name24-methyl-12-thiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
SMILESCC1c2cc3ccccc3cc2-c2sc3cc4ccccc4cc3c21
InChIInChI=1S/C24H16S/c1-14-19-10-15-6-2-3-7-16(15)11-20(19)24-23(14)21-12-17-8-4-5-9-18(17)13-22(21)25-24/h2-14H,1H3
InChIKeyGEIUVVOJPXZVTK-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 24-methyl-12-thiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene with MolForge

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Related Compounds

13,28-bis(4-tert-butylphenyl)-5,20-dithiaoctacyclo[14.14.0.03,14.04,12.06,11.018,29.019,27.021,26]triaconta-1,3(14),4(12),6,8,10,15,17,19(27),21,23,25,29-tridecaene
CID 134692148
12,14-dithiahexacyclo[11.11.0.02,11.04,9.015,24.017,22]tetracosa-1(13),2,4,6,8,10,15,17,19,21,23-undecaene
CID 102138832
2,16-dimethyl-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaene
CID 126491864
17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 155155987
2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzothiole
CID 118503421
17-thia-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 156501515
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
14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 140871224
2-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzothiole
CID 174273171
13-methyl-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 10977847
2-methyl-3-propylbenzo[f][1]benzothiole
CID 144639190
8-fluoro-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 140901619

Frequently Asked Questions

What is the IUPAC name of 24-methyl-12-thiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene?
The IUPAC name of 24-methyl-12-thiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene (CID 144577714) is 24-methyl-12-thiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene.
What is the SMILES notation for 24-methyl-12-thiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene?
The canonical SMILES for 24-methyl-12-thiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene is CC1c2cc3ccccc3cc2-c2sc3cc4ccccc4cc3c21.
What is the InChIKey of 24-methyl-12-thiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene?
The InChIKey is GEIUVVOJPXZVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16S/c1-14-19-10-15-6-2-3-7-16(15)11-20(19)24-23(14)21-12-17-8-4-5-9-18(17)13-22(21)25-24/h2-14H,1H3.
What are the key properties of 24-methyl-12-thiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene?
24-methyl-12-thiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene has a molecular weight of 336.46 g/mol, XLogP of 7.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 24-methyl-12-thiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene is sourced from PubChem (CID 144577714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).