4-thiophen-2-yl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene

C24H14S2 — CID 175100091

IUPAC4-thiophen-2-yl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
SMILESc1csc(-c2cccc3ccc4sc5c6ccccc6ccc5c4c23)c1
InChIInChI=1S/C24H14S2/c1-2-7-17-15(5-1)10-12-19-23-21(26-24(17)19)13-11-16-6-3-8-18(22(16)23)20-9-4-14-25-20/h1-14H
InChIKeyFJIHBIULJCUXAP-UHFFFAOYSA-N
MW366.51 g/mol
LogP8.09
Rot. Bonds1

About 4-thiophen-2-yl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene

4-thiophen-2-yl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene (PubChem CID 175100091) has the molecular formula C24H14S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-thiophen-2-yl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene.

Molecular Properties

Compound Name4-thiophen-2-yl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
PubChem CID175100091
Molecular FormulaC24H14S2
Molecular Weight366.51 g/mol
Exact Mass366.05
IUPAC Name4-thiophen-2-yl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
SMILESc1csc(-c2cccc3ccc4sc5c6ccccc6ccc5c4c23)c1
InChIInChI=1S/C24H14S2/c1-2-7-17-15(5-1)10-12-19-23-21(26-24(17)19)13-11-16-6-3-8-18(22(16)23)20-9-4-14-25-20/h1-14H
InChIKeyFJIHBIULJCUXAP-UHFFFAOYSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-thiophen-2-yl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene with MolForge

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Related Compounds

2-benzo[a]anthracen-1-ylthiophene
CID 134811682
16-thiaheptacyclo[15.12.0.02,15.03,12.04,9.018,27.019,24]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18(27),19,21,23,25,28-tetradecaene
CID 175478801
2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene
CID 71444357
6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[7,6-b][1]benzothiole
CID 176744116
7-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzothiole
CID 164972796
2-(10-naphthalen-1-ylanthracen-9-yl)thiophene
CID 89341887
6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190996
7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole
CID 176744457
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
7-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzothiole
CID 164972797
hexacyclo[12.8.0.02,7.03,21.08,13.017,22]docosa-1(14),2(7),3,5,8,10,12,15,17(22),18,20-undecaene
CID 21087955
naphtho[2,1-b][1]benzothiole-8,9-diamine
CID 138493784

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene?
The IUPAC name of 4-thiophen-2-yl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene (CID 175100091) is 4-thiophen-2-yl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene.
What is the SMILES notation for 4-thiophen-2-yl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene?
The canonical SMILES for 4-thiophen-2-yl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene is c1csc(-c2cccc3ccc4sc5c6ccccc6ccc5c4c23)c1.
What is the InChIKey of 4-thiophen-2-yl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene?
The InChIKey is FJIHBIULJCUXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14S2/c1-2-7-17-15(5-1)10-12-19-23-21(26-24(17)19)13-11-16-6-3-8-18(22(16)23)20-9-4-14-25-20/h1-14H.
What are the key properties of 4-thiophen-2-yl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene?
4-thiophen-2-yl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene has a molecular weight of 366.51 g/mol, XLogP of 8.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene is sourced from PubChem (CID 175100091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).