10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

C23H18S2 — CID 57370956

IUPAC10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESCc1cc2ccccc2c2c1SCSc1c(C)cc3ccccc3c1-2
InChIInChI=1S/C23H18S2/c1-14-11-16-7-3-5-9-18(16)20-21-19-10-6-4-8-17(19)12-15(2)23(21)25-13-24-22(14)20/h3-12H,13H2,1-2H3
InChIKeyFZEJKYQFNJWSPX-UHFFFAOYSA-N
MW358.53 g/mol
LogP7.43
Rot. Bonds

About 10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (PubChem CID 57370956) has the molecular formula C23H18S2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.

Molecular Properties

Compound Name10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
PubChem CID57370956
Molecular FormulaC23H18S2
Molecular Weight358.53 g/mol
Exact Mass358.08
IUPAC Name10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESCc1cc2ccccc2c2c1SCSc1c(C)cc3ccccc3c1-2
InChIInChI=1S/C23H18S2/c1-14-11-16-7-3-5-9-18(16)20-21-19-10-6-4-8-17(19)12-15(2)23(21)25-13-24-22(14)20/h3-12H,13H2,1-2H3
InChIKeyFZEJKYQFNJWSPX-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The IUPAC name of 10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (CID 57370956) is 10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.
What is the SMILES notation for 10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The canonical SMILES for 10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is Cc1cc2ccccc2c2c1SCSc1c(C)cc3ccccc3c1-2.
What is the InChIKey of 10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The InChIKey is FZEJKYQFNJWSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18S2/c1-14-11-16-7-3-5-9-18(16)20-21-19-10-6-4-8-17(19)12-15(2)23(21)25-13-24-22(14)20/h3-12H,13H2,1-2H3.
What are the key properties of 10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene has a molecular weight of 358.53 g/mol, XLogP of 7.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is sourced from PubChem (CID 57370956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).