10,12,14,16,18-pentathiaheptacyclo[13.10.0.02,13.03,11.04,9.017,25.019,24]pentacosa-1(15),2(13),3(11),4,6,8,17(25),19,21,23-decaene

C20H8S5 — CID 132936745

IUPAC10,12,14,16,18-pentathiaheptacyclo[13.10.0.02,13.03,11.04,9.017,25.019,24]pentacosa-1(15),2(13),3(11),4,6,8,17(25),19,21,23-decaene
SMILESc1ccc2c(c1)sc1sc3sc4sc5sc6ccccc6c5c4c3c12
InChIInChI=1S/C20H8S5/c1-3-7-11-9(5-1)13-15-16-14-10-6-2-4-8-12(10)22-18(14)24-20(16)25-19(15)23-17(13)21-11/h1-8H
InChIKeyGXPXHUAFYBPUMA-UHFFFAOYSA-N
MW408.62 g/mol
LogP8.91
Rot. Bonds

About 10,12,14,16,18-pentathiaheptacyclo[13.10.0.02,13.03,11.04,9.017,25.019,24]pentacosa-1(15),2(13),3(11),4,6,8,17(25),19,21,23-decaene

10,12,14,16,18-pentathiaheptacyclo[13.10.0.02,13.03,11.04,9.017,25.019,24]pentacosa-1(15),2(13),3(11),4,6,8,17(25),19,21,23-decaene (PubChem CID 132936745) has the molecular formula C20H8S5 and a molecular weight of 408.62 g/mol. Its IUPAC name is 10,12,14,16,18-pentathiaheptacyclo[13.10.0.02,13.03,11.04,9.017,25.019,24]pentacosa-1(15),2(13),3(11),4,6,8,17(25),19,21,23-decaene.

Molecular Properties

Compound Name10,12,14,16,18-pentathiaheptacyclo[13.10.0.02,13.03,11.04,9.017,25.019,24]pentacosa-1(15),2(13),3(11),4,6,8,17(25),19,21,23-decaene
PubChem CID132936745
Molecular FormulaC20H8S5
Molecular Weight408.62 g/mol
Exact Mass407.92
IUPAC Name10,12,14,16,18-pentathiaheptacyclo[13.10.0.02,13.03,11.04,9.017,25.019,24]pentacosa-1(15),2(13),3(11),4,6,8,17(25),19,21,23-decaene
SMILESc1ccc2c(c1)sc1sc3sc4sc5sc6ccccc6c5c4c3c12
InChIInChI=1S/C20H8S5/c1-3-7-11-9(5-1)13-15-16-14-10-6-2-4-8-12(10)22-18(14)24-20(16)25-19(15)23-17(13)21-11/h1-8H
InChIKeyGXPXHUAFYBPUMA-UHFFFAOYSA-N
XLogP8.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.62
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10,12,14,16,18-pentathiaheptacyclo[13.10.0.02,13.03,11.04,9.017,25.019,24]pentacosa-1(15),2(13),3(11),4,6,8,17(25),19,21,23-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,12,14,16,18-pentathiaheptacyclo[13.10.0.02,13.03,11.04,9.017,25.019,24]pentacosa-1(15),2(13),3(11),4,6,8,17(25),19,21,23-decaene?
The IUPAC name of 10,12,14,16,18-pentathiaheptacyclo[13.10.0.02,13.03,11.04,9.017,25.019,24]pentacosa-1(15),2(13),3(11),4,6,8,17(25),19,21,23-decaene (CID 132936745) is 10,12,14,16,18-pentathiaheptacyclo[13.10.0.02,13.03,11.04,9.017,25.019,24]pentacosa-1(15),2(13),3(11),4,6,8,17(25),19,21,23-decaene.
What is the SMILES notation for 10,12,14,16,18-pentathiaheptacyclo[13.10.0.02,13.03,11.04,9.017,25.019,24]pentacosa-1(15),2(13),3(11),4,6,8,17(25),19,21,23-decaene?
The canonical SMILES for 10,12,14,16,18-pentathiaheptacyclo[13.10.0.02,13.03,11.04,9.017,25.019,24]pentacosa-1(15),2(13),3(11),4,6,8,17(25),19,21,23-decaene is c1ccc2c(c1)sc1sc3sc4sc5sc6ccccc6c5c4c3c12.
What is the InChIKey of 10,12,14,16,18-pentathiaheptacyclo[13.10.0.02,13.03,11.04,9.017,25.019,24]pentacosa-1(15),2(13),3(11),4,6,8,17(25),19,21,23-decaene?
The InChIKey is GXPXHUAFYBPUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H8S5/c1-3-7-11-9(5-1)13-15-16-14-10-6-2-4-8-12(10)22-18(14)24-20(16)25-19(15)23-17(13)21-11/h1-8H.
What are the key properties of 10,12,14,16,18-pentathiaheptacyclo[13.10.0.02,13.03,11.04,9.017,25.019,24]pentacosa-1(15),2(13),3(11),4,6,8,17(25),19,21,23-decaene?
10,12,14,16,18-pentathiaheptacyclo[13.10.0.02,13.03,11.04,9.017,25.019,24]pentacosa-1(15),2(13),3(11),4,6,8,17(25),19,21,23-decaene has a molecular weight of 408.62 g/mol, XLogP of 8.91, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,12,14,16,18-pentathiaheptacyclo[13.10.0.02,13.03,11.04,9.017,25.019,24]pentacosa-1(15),2(13),3(11),4,6,8,17(25),19,21,23-decaene is sourced from PubChem (CID 132936745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).