(6Z,16Z)-21,22,23,24-tetrathiapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene

C20H12S4 — CID 138981768

IUPAC(6Z,16Z)-21,22,23,24-tetrathiapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene
SMILESC1=C\c2ccc(s2)-c2ccc(s2)/C=C\c2ccc(s2)-c2ccc/1s2
InChIInChI=1S/C20H12S4/c1-2-14-6-10-19(22-14)20-12-8-16(24-20)4-3-15-7-11-18(23-15)17-9-5-13(1)21-17/h1-12H/b2-1-,4-3-,13-1-,14-2-,15-3-,16-4-,18-17-,20-19-
InChIKeyMSROBQXQQZEQGQ-WGMILTDNSA-N
MW380.58 g/mol
LogP7.92
Rot. Bonds

About (6Z,16Z)-21,22,23,24-tetrathiapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene

(6Z,16Z)-21,22,23,24-tetrathiapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene (PubChem CID 138981768) has the molecular formula C20H12S4 and a molecular weight of 380.58 g/mol. Its IUPAC name is (6Z,16Z)-21,22,23,24-tetrathiapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene.

Molecular Properties

Compound Name(6Z,16Z)-21,22,23,24-tetrathiapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene
PubChem CID138981768
Molecular FormulaC20H12S4
Molecular Weight380.58 g/mol
Exact Mass379.98
IUPAC Name(6Z,16Z)-21,22,23,24-tetrathiapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene
SMILESC1=C\c2ccc(s2)-c2ccc(s2)/C=C\c2ccc(s2)-c2ccc/1s2
InChIInChI=1S/C20H12S4/c1-2-14-6-10-19(22-14)20-12-8-16(24-20)4-3-15-7-11-18(23-15)17-9-5-13(1)21-17/h1-12H/b2-1-,4-3-,13-1-,14-2-,15-3-,16-4-,18-17-,20-19-
InChIKeyMSROBQXQQZEQGQ-WGMILTDNSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6Z,16Z)-21,22,23,24-tetrathiapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene with MolForge

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Related Compounds

2,2':5',2''-Terthiophene
CID 65067
2,2':5',2'',5'',2'''-Quaterthiophene
CID 395493
2,2':5',2'':5'',2''':5''',2''''-Quinquethiophene
CID 395508
Sexithiophene
CID 11340899
2,5-Bis[5-(4-bromobutyl)thiophen-2-yl]thiophene
CID 137653771
Dithieno(3,2-b:2',3'-d)thiophene
CID 137985
3,3'''-Didodecyl-2,2':5',2'':5'',2'''-quaterthiophene
CID 389751
2,5-Bis[5-(3-bromopropyl)thiophen-2-yl]thiophene
CID 137638045
2,2'-Dithienylmethane
CID 138192
2,2':5',2''-Terthiophene, 5-methyl-
CID 176446
2-Methylsulfanyl-5-[5-(2-thienyl)-2-thienyl]thiophene
CID 454746
1~5~,4~5~-Bis(tridecafluorohexyl)-1~2~,2~2~:2~5~,3~2~:3~5~,4~2~-quaterthiophene
CID 21131072

Frequently Asked Questions

What is the IUPAC name of (6Z,16Z)-21,22,23,24-tetrathiapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
The IUPAC name of (6Z,16Z)-21,22,23,24-tetrathiapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene (CID 138981768) is (6Z,16Z)-21,22,23,24-tetrathiapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene.
What is the SMILES notation for (6Z,16Z)-21,22,23,24-tetrathiapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
The canonical SMILES for (6Z,16Z)-21,22,23,24-tetrathiapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene is C1=C\c2ccc(s2)-c2ccc(s2)/C=C\c2ccc(s2)-c2ccc/1s2.
What is the InChIKey of (6Z,16Z)-21,22,23,24-tetrathiapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
The InChIKey is MSROBQXQQZEQGQ-WGMILTDNSA-N. The full InChI is InChI=1S/C20H12S4/c1-2-14-6-10-19(22-14)20-12-8-16(24-20)4-3-15-7-11-18(23-15)17-9-5-13(1)21-17/h1-12H/b2-1-,4-3-,13-1-,14-2-,15-3-,16-4-,18-17-,20-19-.
What are the key properties of (6Z,16Z)-21,22,23,24-tetrathiapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
(6Z,16Z)-21,22,23,24-tetrathiapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene has a molecular weight of 380.58 g/mol, XLogP of 7.92, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,16Z)-21,22,23,24-tetrathiapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene is sourced from PubChem (CID 138981768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).