(1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene

C32H16S4 — CID 15554848

IUPAC(1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene
SMILESc1ccc2c3/c(sc2c1)=c1/sc2ccccc2/c1=c1/c(sc2ccccc12)=c1/sc2ccccc2/c1=3
InChIInChI=1S/C32H16S4/c1-5-13-21-17(9-1)25-26-18-10-2-6-14-22(18)34-30(26)32-28(20-12-4-8-16-24(20)36-32)27-19-11-3-7-15-23(19)35-31(27)29(25)33-21/h1-16H/b26-25-,28-27-,31-29-,32-30-
InChIKeyJUHDVVCLMMBDLS-UKQZGAEESA-N
MW528.75 g/mol
LogP10.01
Rot. Bonds

About (1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene

(1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene (PubChem CID 15554848) has the molecular formula C32H16S4 and a molecular weight of 528.75 g/mol. Its IUPAC name is (1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene.

Molecular Properties

Compound Name(1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene
PubChem CID15554848
Molecular FormulaC32H16S4
Molecular Weight528.75 g/mol
Exact Mass528.01
IUPAC Name(1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene
SMILESc1ccc2c3/c(sc2c1)=c1/sc2ccccc2/c1=c1/c(sc2ccccc12)=c1/sc2ccccc2/c1=3
InChIInChI=1S/C32H16S4/c1-5-13-21-17(9-1)25-26-18-10-2-6-14-22(18)34-30(26)32-28(20-12-4-8-16-24(20)36-32)27-19-11-3-7-15-23(19)35-31(27)29(25)33-21/h1-16H/b26-25-,28-27-,31-29-,32-30-
InChIKeyJUHDVVCLMMBDLS-UKQZGAEESA-N
XLogP10.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.75
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene?
The IUPAC name of (1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene (CID 15554848) is (1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene.
What is the SMILES notation for (1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene?
The canonical SMILES for (1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene is c1ccc2c3/c(sc2c1)=c1/sc2ccccc2/c1=c1/c(sc2ccccc12)=c1/sc2ccccc2/c1=3.
What is the InChIKey of (1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene?
The InChIKey is JUHDVVCLMMBDLS-UKQZGAEESA-N. The full InChI is InChI=1S/C32H16S4/c1-5-13-21-17(9-1)25-26-18-10-2-6-14-22(18)34-30(26)32-28(20-12-4-8-16-24(20)36-32)27-19-11-3-7-15-23(19)35-31(27)29(25)33-21/h1-16H/b26-25-,28-27-,31-29-,32-30-.
What are the key properties of (1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene?
(1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene has a molecular weight of 528.75 g/mol, XLogP of 10.01, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene is sourced from PubChem (CID 15554848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).