18,19-dipropyl-11,16,21,26-tetrathianonacyclo[18.14.0.02,17.03,15.04,12.05,10.022,34.025,33.027,32]tetratriaconta-1(20),2(17),3(15),4(12),5,7,9,13,18,22(34),23,25(33),27,29,31-pentadecaene

C36H26S4 — CID 132568977

IUPAC18,19-dipropyl-11,16,21,26-tetrathianonacyclo[18.14.0.02,17.03,15.04,12.05,10.022,34.025,33.027,32]tetratriaconta-1(20),2(17),3(15),4(12),5,7,9,13,18,22(34),23,25(33),27,29,31-pentadecaene
SMILESCCCc1c(CCC)c2sc3ccc4sc5ccccc5c4c3c2c2c1sc1ccc3sc4ccccc4c3c12
InChIInChI=1S/C36H26S4/c1-3-9-19-20(10-4-2)36-34(32-28(40-36)18-16-26-30(32)22-12-6-8-14-24(22)38-26)33-31-27(39-35(19)33)17-15-25-29(31)21-11-5-7-13-23(21)37-25/h5-8,11-18H,3-4,9-10H2,1-2H3
InChIKeyBVCLLHRQESHICO-UHFFFAOYSA-N
MW586.87 g/mol
LogP13.06
Rot. Bonds4

About 18,19-dipropyl-11,16,21,26-tetrathianonacyclo[18.14.0.02,17.03,15.04,12.05,10.022,34.025,33.027,32]tetratriaconta-1(20),2(17),3(15),4(12),5,7,9,13,18,22(34),23,25(33),27,29,31-pentadecaene

18,19-dipropyl-11,16,21,26-tetrathianonacyclo[18.14.0.02,17.03,15.04,12.05,10.022,34.025,33.027,32]tetratriaconta-1(20),2(17),3(15),4(12),5,7,9,13,18,22(34),23,25(33),27,29,31-pentadecaene (PubChem CID 132568977) has the molecular formula C36H26S4 and a molecular weight of 586.87 g/mol. Its IUPAC name is 18,19-dipropyl-11,16,21,26-tetrathianonacyclo[18.14.0.02,17.03,15.04,12.05,10.022,34.025,33.027,32]tetratriaconta-1(20),2(17),3(15),4(12),5,7,9,13,18,22(34),23,25(33),27,29,31-pentadecaene.

Molecular Properties

Compound Name18,19-dipropyl-11,16,21,26-tetrathianonacyclo[18.14.0.02,17.03,15.04,12.05,10.022,34.025,33.027,32]tetratriaconta-1(20),2(17),3(15),4(12),5,7,9,13,18,22(34),23,25(33),27,29,31-pentadecaene
PubChem CID132568977
Molecular FormulaC36H26S4
Molecular Weight586.87 g/mol
Exact Mass586.09
IUPAC Name18,19-dipropyl-11,16,21,26-tetrathianonacyclo[18.14.0.02,17.03,15.04,12.05,10.022,34.025,33.027,32]tetratriaconta-1(20),2(17),3(15),4(12),5,7,9,13,18,22(34),23,25(33),27,29,31-pentadecaene
SMILESCCCc1c(CCC)c2sc3ccc4sc5ccccc5c4c3c2c2c1sc1ccc3sc4ccccc4c3c12
InChIInChI=1S/C36H26S4/c1-3-9-19-20(10-4-2)36-34(32-28(40-36)18-16-26-30(32)22-12-6-8-14-24(22)38-26)33-31-27(39-35(19)33)17-15-25-29(31)21-11-5-7-13-23(21)37-25/h5-8,11-18H,3-4,9-10H2,1-2H3
InChIKeyBVCLLHRQESHICO-UHFFFAOYSA-N
XLogP13.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.87
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 18,19-dipropyl-11,16,21,26-tetrathianonacyclo[18.14.0.02,17.03,15.04,12.05,10.022,34.025,33.027,32]tetratriaconta-1(20),2(17),3(15),4(12),5,7,9,13,18,22(34),23,25(33),27,29,31-pentadecaene with MolForge

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Related Compounds

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3-propyl-1-benzothiophen-2-ol
CID 69483518
1-methyldibenzothiophene
CID 23839
(14,15-dipropyl-20-trimethylsilyl-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-undecaen-9-yl)-trimethylsilane
CID 132513136
9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
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1-(2,2-dimethylpropyl)dibenzothiophene
CID 139500455
9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene;10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 159913663
2,3-dipropylthiochromen-4-one
CID 101499421
4,12,19,27-tetrathiaoctacyclo[14.14.0.02,13.03,11.05,10.017,28.018,26.020,25]triaconta-1(16),2(13),3(11),5,7,9,14,17(28),18(26),20,22,24,29-tridecaene
CID 135033615
9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-11-ylboronic acid
CID 159933619
10-thiaheptacyclo[15.12.0.02,14.03,11.04,9.018,23.024,29]nonacosa-1(17),2(14),3(11),4,6,8,12,15,18,20,22,24,26,28-tetradecaene
CID 13409695
1-(methoxymethyl)dibenzothiophene
CID 174808935

Frequently Asked Questions

What is the IUPAC name of 18,19-dipropyl-11,16,21,26-tetrathianonacyclo[18.14.0.02,17.03,15.04,12.05,10.022,34.025,33.027,32]tetratriaconta-1(20),2(17),3(15),4(12),5,7,9,13,18,22(34),23,25(33),27,29,31-pentadecaene?
The IUPAC name of 18,19-dipropyl-11,16,21,26-tetrathianonacyclo[18.14.0.02,17.03,15.04,12.05,10.022,34.025,33.027,32]tetratriaconta-1(20),2(17),3(15),4(12),5,7,9,13,18,22(34),23,25(33),27,29,31-pentadecaene (CID 132568977) is 18,19-dipropyl-11,16,21,26-tetrathianonacyclo[18.14.0.02,17.03,15.04,12.05,10.022,34.025,33.027,32]tetratriaconta-1(20),2(17),3(15),4(12),5,7,9,13,18,22(34),23,25(33),27,29,31-pentadecaene.
What is the SMILES notation for 18,19-dipropyl-11,16,21,26-tetrathianonacyclo[18.14.0.02,17.03,15.04,12.05,10.022,34.025,33.027,32]tetratriaconta-1(20),2(17),3(15),4(12),5,7,9,13,18,22(34),23,25(33),27,29,31-pentadecaene?
The canonical SMILES for 18,19-dipropyl-11,16,21,26-tetrathianonacyclo[18.14.0.02,17.03,15.04,12.05,10.022,34.025,33.027,32]tetratriaconta-1(20),2(17),3(15),4(12),5,7,9,13,18,22(34),23,25(33),27,29,31-pentadecaene is CCCc1c(CCC)c2sc3ccc4sc5ccccc5c4c3c2c2c1sc1ccc3sc4ccccc4c3c12.
What is the InChIKey of 18,19-dipropyl-11,16,21,26-tetrathianonacyclo[18.14.0.02,17.03,15.04,12.05,10.022,34.025,33.027,32]tetratriaconta-1(20),2(17),3(15),4(12),5,7,9,13,18,22(34),23,25(33),27,29,31-pentadecaene?
The InChIKey is BVCLLHRQESHICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26S4/c1-3-9-19-20(10-4-2)36-34(32-28(40-36)18-16-26-30(32)22-12-6-8-14-24(22)38-26)33-31-27(39-35(19)33)17-15-25-29(31)21-11-5-7-13-23(21)37-25/h5-8,11-18H,3-4,9-10H2,1-2H3.
What are the key properties of 18,19-dipropyl-11,16,21,26-tetrathianonacyclo[18.14.0.02,17.03,15.04,12.05,10.022,34.025,33.027,32]tetratriaconta-1(20),2(17),3(15),4(12),5,7,9,13,18,22(34),23,25(33),27,29,31-pentadecaene?
18,19-dipropyl-11,16,21,26-tetrathianonacyclo[18.14.0.02,17.03,15.04,12.05,10.022,34.025,33.027,32]tetratriaconta-1(20),2(17),3(15),4(12),5,7,9,13,18,22(34),23,25(33),27,29,31-pentadecaene has a molecular weight of 586.87 g/mol, XLogP of 13.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 18,19-dipropyl-11,16,21,26-tetrathianonacyclo[18.14.0.02,17.03,15.04,12.05,10.022,34.025,33.027,32]tetratriaconta-1(20),2(17),3(15),4(12),5,7,9,13,18,22(34),23,25(33),27,29,31-pentadecaene is sourced from PubChem (CID 132568977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).