14,15-dipropyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaene

C28H22S4 — CID 11974263

IUPAC14,15-dipropyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaene
SMILESCCCc1c(CCC)c2sc3ccc4sccc4c3c2c2c1sc1ccc3sccc3c12
InChIInChI=1S/C28H22S4/c1-3-5-15-16(6-4-2)28-26(24-18-12-14-30-20(18)8-10-22(24)32-28)25-23-17-11-13-29-19(17)7-9-21(23)31-27(15)25/h7-14H,3-6H2,1-2H3
InChIKeyUUFLNAATDPQPGD-UHFFFAOYSA-N
MW486.75 g/mol
LogP10.76
Rot. Bonds4

About 14,15-dipropyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaene

14,15-dipropyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaene (PubChem CID 11974263) has the molecular formula C28H22S4 and a molecular weight of 486.75 g/mol. Its IUPAC name is 14,15-dipropyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaene.

Molecular Properties

Compound Name14,15-dipropyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaene
PubChem CID11974263
Molecular FormulaC28H22S4
Molecular Weight486.75 g/mol
Exact Mass486.06
IUPAC Name14,15-dipropyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaene
SMILESCCCc1c(CCC)c2sc3ccc4sccc4c3c2c2c1sc1ccc3sccc3c12
InChIInChI=1S/C28H22S4/c1-3-5-15-16(6-4-2)28-26(24-18-12-14-30-20(18)8-10-22(24)32-28)25-23-17-11-13-29-19(17)7-9-21(23)31-27(15)25/h7-14H,3-6H2,1-2H3
InChIKeyUUFLNAATDPQPGD-UHFFFAOYSA-N
XLogP10.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.75
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14,15-dipropyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14,15-dipropyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaene?
The IUPAC name of 14,15-dipropyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaene (CID 11974263) is 14,15-dipropyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaene.
What is the SMILES notation for 14,15-dipropyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaene?
The canonical SMILES for 14,15-dipropyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaene is CCCc1c(CCC)c2sc3ccc4sccc4c3c2c2c1sc1ccc3sccc3c12.
What is the InChIKey of 14,15-dipropyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaene?
The InChIKey is UUFLNAATDPQPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22S4/c1-3-5-15-16(6-4-2)28-26(24-18-12-14-30-20(18)8-10-22(24)32-28)25-23-17-11-13-29-19(17)7-9-21(23)31-27(15)25/h7-14H,3-6H2,1-2H3.
What are the key properties of 14,15-dipropyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaene?
14,15-dipropyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaene has a molecular weight of 486.75 g/mol, XLogP of 10.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14,15-dipropyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaene is sourced from PubChem (CID 11974263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).