6,9,15,18-tetrathiahexacyclo[10.10.0.03,10.04,8.014,21.016,20]docosa-1,3(10),4,7,11,13,16,19,21-nonaene

C18H8S4 — CID 145051424

IUPAC6,9,15,18-tetrathiahexacyclo[10.10.0.03,10.04,8.014,21.016,20]docosa-1,3(10),4,7,11,13,16,19,21-nonaene
SMILESc1scc2c1sc1cc3cc4sc5cscc5c4cc3cc12
InChIInChI=1S/C18H8S4/c1-9-2-12-14-6-20-8-18(14)22-16(12)4-10(9)3-15-11(1)13-5-19-7-17(13)21-15/h1-8H
InChIKeyUFSOAWIAUBADIH-UHFFFAOYSA-N
MW352.53 g/mol
LogP7.70
Rot. Bonds

About 6,9,15,18-tetrathiahexacyclo[10.10.0.03,10.04,8.014,21.016,20]docosa-1,3(10),4,7,11,13,16,19,21-nonaene

6,9,15,18-tetrathiahexacyclo[10.10.0.03,10.04,8.014,21.016,20]docosa-1,3(10),4,7,11,13,16,19,21-nonaene (PubChem CID 145051424) has the molecular formula C18H8S4 and a molecular weight of 352.53 g/mol. Its IUPAC name is 6,9,15,18-tetrathiahexacyclo[10.10.0.03,10.04,8.014,21.016,20]docosa-1,3(10),4,7,11,13,16,19,21-nonaene.

Molecular Properties

Compound Name6,9,15,18-tetrathiahexacyclo[10.10.0.03,10.04,8.014,21.016,20]docosa-1,3(10),4,7,11,13,16,19,21-nonaene
PubChem CID145051424
Molecular FormulaC18H8S4
Molecular Weight352.53 g/mol
Exact Mass351.95
IUPAC Name6,9,15,18-tetrathiahexacyclo[10.10.0.03,10.04,8.014,21.016,20]docosa-1,3(10),4,7,11,13,16,19,21-nonaene
SMILESc1scc2c1sc1cc3cc4sc5cscc5c4cc3cc12
InChIInChI=1S/C18H8S4/c1-9-2-12-14-6-20-8-18(14)22-16(12)4-10(9)3-15-11(1)13-5-19-7-17(13)21-15/h1-8H
InChIKeyUFSOAWIAUBADIH-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.53
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,9,15,18-tetrathiahexacyclo[10.10.0.03,10.04,8.014,21.016,20]docosa-1,3(10),4,7,11,13,16,19,21-nonaene with MolForge

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Related Compounds

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
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
6,16-dibromo-5,11,17-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene
CID 118311416
11,28-dimethyl-17,34-dithia-11,28-diazanonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1(20),2,4(16),5,7,9,12,14,18,21(33),22,24,26,29,31-pentadecaene
CID 122448804
6,16-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4,7,9,12,14,17,19-nonaene
CID 145051419
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
1-(23-piperidin-1-yl-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-9-yl)piperidine
CID 155361898
7-N,7-N,19-N,19-N-tetranaphthalen-2-yl-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 153303342
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
N,N-bis(naphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiol-3-amine
CID 159596394
N-dibenzothiophen-3-yl-N-phenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-amine
CID 162475544
7-[3-(10-phenylanthracen-9-yl)phenyl]-12,22-dithiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130186265

Frequently Asked Questions

What is the IUPAC name of 6,9,15,18-tetrathiahexacyclo[10.10.0.03,10.04,8.014,21.016,20]docosa-1,3(10),4,7,11,13,16,19,21-nonaene?
The IUPAC name of 6,9,15,18-tetrathiahexacyclo[10.10.0.03,10.04,8.014,21.016,20]docosa-1,3(10),4,7,11,13,16,19,21-nonaene (CID 145051424) is 6,9,15,18-tetrathiahexacyclo[10.10.0.03,10.04,8.014,21.016,20]docosa-1,3(10),4,7,11,13,16,19,21-nonaene.
What is the SMILES notation for 6,9,15,18-tetrathiahexacyclo[10.10.0.03,10.04,8.014,21.016,20]docosa-1,3(10),4,7,11,13,16,19,21-nonaene?
The canonical SMILES for 6,9,15,18-tetrathiahexacyclo[10.10.0.03,10.04,8.014,21.016,20]docosa-1,3(10),4,7,11,13,16,19,21-nonaene is c1scc2c1sc1cc3cc4sc5cscc5c4cc3cc12.
What is the InChIKey of 6,9,15,18-tetrathiahexacyclo[10.10.0.03,10.04,8.014,21.016,20]docosa-1,3(10),4,7,11,13,16,19,21-nonaene?
The InChIKey is UFSOAWIAUBADIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8S4/c1-9-2-12-14-6-20-8-18(14)22-16(12)4-10(9)3-15-11(1)13-5-19-7-17(13)21-15/h1-8H.
What are the key properties of 6,9,15,18-tetrathiahexacyclo[10.10.0.03,10.04,8.014,21.016,20]docosa-1,3(10),4,7,11,13,16,19,21-nonaene?
6,9,15,18-tetrathiahexacyclo[10.10.0.03,10.04,8.014,21.016,20]docosa-1,3(10),4,7,11,13,16,19,21-nonaene has a molecular weight of 352.53 g/mol, XLogP of 7.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,15,18-tetrathiahexacyclo[10.10.0.03,10.04,8.014,21.016,20]docosa-1,3(10),4,7,11,13,16,19,21-nonaene is sourced from PubChem (CID 145051424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).