4,11-bis(4-methylphenyl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene

C24H16S4 — CID 130351901

IUPAC4,11-bis(4-methylphenyl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene
SMILESCc1ccc(-c2cc3c(s2)sc2c4cc(-c5ccc(C)cc5)sc4sc32)cc1
InChIInChI=1S/C24H16S4/c1-13-3-7-15(8-4-13)19-11-17-21-22(27-23(17)25-19)18-12-20(26-24(18)28-21)16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChIKeyYOFXRFRWRPWBDL-UHFFFAOYSA-N
MW432.66 g/mol
LogP9.34
Rot. Bonds2

About 4,11-bis(4-methylphenyl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene

4,11-bis(4-methylphenyl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene (PubChem CID 130351901) has the molecular formula C24H16S4 and a molecular weight of 432.66 g/mol. Its IUPAC name is 4,11-bis(4-methylphenyl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene.

Molecular Properties

Compound Name4,11-bis(4-methylphenyl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene
PubChem CID130351901
Molecular FormulaC24H16S4
Molecular Weight432.66 g/mol
Exact Mass432.01
IUPAC Name4,11-bis(4-methylphenyl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene
SMILESCc1ccc(-c2cc3c(s2)sc2c4cc(-c5ccc(C)cc5)sc4sc32)cc1
InChIInChI=1S/C24H16S4/c1-13-3-7-15(8-4-13)19-11-17-21-22(27-23(17)25-19)18-12-20(26-24(18)28-21)16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChIKeyYOFXRFRWRPWBDL-UHFFFAOYSA-N
XLogP9.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.66
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,11-bis(4-methylphenyl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,11-bis(4-methylphenyl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene?
The IUPAC name of 4,11-bis(4-methylphenyl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene (CID 130351901) is 4,11-bis(4-methylphenyl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene.
What is the SMILES notation for 4,11-bis(4-methylphenyl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene?
The canonical SMILES for 4,11-bis(4-methylphenyl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene is Cc1ccc(-c2cc3c(s2)sc2c4cc(-c5ccc(C)cc5)sc4sc32)cc1.
What is the InChIKey of 4,11-bis(4-methylphenyl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene?
The InChIKey is YOFXRFRWRPWBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16S4/c1-13-3-7-15(8-4-13)19-11-17-21-22(27-23(17)25-19)18-12-20(26-24(18)28-21)16-9-5-14(2)6-10-16/h3-12H,1-2H3.
What are the key properties of 4,11-bis(4-methylphenyl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene?
4,11-bis(4-methylphenyl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene has a molecular weight of 432.66 g/mol, XLogP of 9.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-bis(4-methylphenyl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene is sourced from PubChem (CID 130351901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).