6-dodeca-1,3,5,7,9,11-hexaynyl-2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-1-hexadeca-1,3,5,7,9,11,13,15-octaynyl-4-nonadeca-1,3,5,7,9,11,13,15,17-nonaynyl-3-octadeca-1,3,5,7,9,11,13,15,17-nonaynyl-9-pentadeca-1,3,5,7,9,11,13-heptaynyl-8-tetradeca-1,3,5,7,9,11,13-heptaynyl-7-trideca-1,3,5,7,9,11-hexaynyldibenzothiophene

C136H16S — CID 90265504

About 6-dodeca-1,3,5,7,9,11-hexaynyl-2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-1-hexadeca-1,3,5,7,9,11,13,15-octaynyl-4-nonadeca-1,3,5,7,9,11,13,15,17-nonaynyl-3-octadeca-1,3,5,7,9,11,13,15,17-nonaynyl-9-pentadeca-1,3,5,7,9,11,13-heptaynyl-8-tetradeca-1,3,5,7,9,11,13-heptaynyl-7-trideca-1,3,5,7,9,11-hexaynyldibenzothiophene

6-dodeca-1,3,5,7,9,11-hexaynyl-2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-1-hexadeca-1,3,5,7,9,11,13,15-octaynyl-4-nonadeca-1,3,5,7,9,11,13,15,17-nonaynyl-3-octadeca-1,3,5,7,9,11,13,15,17-nonaynyl-9-pentadeca-1,3,5,7,9,11,13-heptaynyl-8-tetradeca-1,3,5,7,9,11,13-heptaynyl-7-trideca-1,3,5,7,9,11-hexaynyldibenzothiophene (PubChem CID 90265504) has the molecular formula C136H16S and a molecular weight of 1681.69 g/mol. Its IUPAC name is 6-dodeca-1,3,5,7,9,11-hexaynyl-2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-1-hexadeca-1,3,5,7,9,11,13,15-octaynyl-4-nonadeca-1,3,5,7,9,11,13,15,17-nonaynyl-3-octadeca-1,3,5,7,9,11,13,15,17-nonaynyl-9-pentadeca-1,3,5,7,9,11,13-heptaynyl-8-tetradeca-1,3,5,7,9,11,13-heptaynyl-7-trideca-1,3,5,7,9,11-hexaynyldibenzothiophene.

Molecular Properties

• Compound Name: 6-dodeca-1,3,5,7,9,11-hexaynyl-2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-1-hexadeca-1,3,5,7,9,11,13,15-octaynyl-4-nonadeca-1,3,5,7,9,11,13,15,17-nonaynyl-3-octadeca-1,3,5,7,9,11,13,15,17-nonaynyl-9-pentadeca-1,3,5,7,9,11,13-heptaynyl-8-tetradeca-1,3,5,7,9,11,13-heptaynyl-7-trideca-1,3,5,7,9,11-hexaynyldibenzothiophene
• PubChem CID: 90265504
• Molecular Formula: C136H16S
• Molecular Weight: 1681.69 g/mol
• Exact Mass: 1680.10
• IUPAC Name: 6-dodeca-1,3,5,7,9,11-hexaynyl-2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-1-hexadeca-1,3,5,7,9,11,13,15-octaynyl-4-nonadeca-1,3,5,7,9,11,13,15,17-nonaynyl-3-octadeca-1,3,5,7,9,11,13,15,17-nonaynyl-9-pentadeca-1,3,5,7,9,11,13-heptaynyl-8-tetradeca-1,3,5,7,9,11,13-heptaynyl-7-trideca-1,3,5,7,9,11-hexaynyldibenzothiophene
• SMILES: C#CC#CC#CC#CC#CC#CC#CC#CC#Cc1c(C#CC#CC#CC#CC#CC#CC#CC#CC)c(C#CC#CC#CC#CC#CC#CC#CC#C)c2c(sc3c(C#CC#CC#CC#CC#CC#C)c(C#CC#CC#CC#CC#CC#CC)c(C#CC#CC#CC#CC#CC#CC#C)c(C#CC#CC#CC#CC#CC#CC#CC)c32)c1C#CC#CC#CC#CC#CC#CC#CC#CC#CC
• InChI: InChI=1S/C136H16S/c1-9-17-25-33-41-49-57-63-67-69-72-77-84-92-100-108-116-124-132-128(120-112-104-96-89-81-76-71-68-64-58-50-42-34-26-18-10-2)126(118-110-102-94-88-80-75-70-65-59-51-43-35-27-19-11-3)130(122-114-106-98-91-83-74-66-60-52-44-36-28-20-12-4)134-133-129(121-113-105-97-90-82-73-61-53-45-37-29-21-13-5)125(117-109-101-93-87-79-62-54-46-38-30-22-14-6)127(119-111-103-95-86-78-55-47-39-31-23-15-7)131(135(133)137-136(132)134)123-115-107-99-85-56-48-40-32-24-16-8/h2,4,6,8H,1,3,5,7H3
• InChIKey: YKIGRZMFYZFXPZ-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 0.00 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1681.69
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-dodeca-1,3,5,7,9,11-hexaynyl-2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-1-hexadeca-1,3,5,7,9,11,13,15-octaynyl-4-nonadeca-1,3,5,7,9,11,13,15,17-nonaynyl-3-octadeca-1,3,5,7,9,11,13,15,17-nonaynyl-9-pentadeca-1,3,5,7,9,11,13-heptaynyl-8-tetradeca-1,3,5,7,9,11,13-heptaynyl-7-trideca-1,3,5,7,9,11-hexaynyldibenzothiophene?

The IUPAC name of 6-dodeca-1,3,5,7,9,11-hexaynyl-2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-1-hexadeca-1,3,5,7,9,11,13,15-octaynyl-4-nonadeca-1,3,5,7,9,11,13,15,17-nonaynyl-3-octadeca-1,3,5,7,9,11,13,15,17-nonaynyl-9-pentadeca-1,3,5,7,9,11,13-heptaynyl-8-tetradeca-1,3,5,7,9,11,13-heptaynyl-7-trideca-1,3,5,7,9,11-hexaynyldibenzothiophene (CID 90265504) is 6-dodeca-1,3,5,7,9,11-hexaynyl-2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-1-hexadeca-1,3,5,7,9,11,13,15-octaynyl-4-nonadeca-1,3,5,7,9,11,13,15,17-nonaynyl-3-octadeca-1,3,5,7,9,11,13,15,17-nonaynyl-9-pentadeca-1,3,5,7,9,11,13-heptaynyl-8-tetradeca-1,3,5,7,9,11,13-heptaynyl-7-trideca-1,3,5,7,9,11-hexaynyldibenzothiophene.

What is the SMILES notation for 6-dodeca-1,3,5,7,9,11-hexaynyl-2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-1-hexadeca-1,3,5,7,9,11,13,15-octaynyl-4-nonadeca-1,3,5,7,9,11,13,15,17-nonaynyl-3-octadeca-1,3,5,7,9,11,13,15,17-nonaynyl-9-pentadeca-1,3,5,7,9,11,13-heptaynyl-8-tetradeca-1,3,5,7,9,11,13-heptaynyl-7-trideca-1,3,5,7,9,11-hexaynyldibenzothiophene?

The canonical SMILES for 6-dodeca-1,3,5,7,9,11-hexaynyl-2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-1-hexadeca-1,3,5,7,9,11,13,15-octaynyl-4-nonadeca-1,3,5,7,9,11,13,15,17-nonaynyl-3-octadeca-1,3,5,7,9,11,13,15,17-nonaynyl-9-pentadeca-1,3,5,7,9,11,13-heptaynyl-8-tetradeca-1,3,5,7,9,11,13-heptaynyl-7-trideca-1,3,5,7,9,11-hexaynyldibenzothiophene is C#CC#CC#CC#CC#CC#CC#CC#CC#Cc1c(C#CC#CC#CC#CC#CC#CC#CC#CC)c(C#CC#CC#CC#CC#CC#CC#CC#C)c2c(sc3c(C#CC#CC#CC#CC#CC#C)c(C#CC#CC#CC#CC#CC#CC)c(C#CC#CC#CC#CC#CC#CC#C)c(C#CC#CC#CC#CC#CC#CC#CC)c32)c1C#CC#CC#CC#CC#CC#CC#CC#CC#CC.

What is the InChIKey of 6-dodeca-1,3,5,7,9,11-hexaynyl-2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-1-hexadeca-1,3,5,7,9,11,13,15-octaynyl-4-nonadeca-1,3,5,7,9,11,13,15,17-nonaynyl-3-octadeca-1,3,5,7,9,11,13,15,17-nonaynyl-9-pentadeca-1,3,5,7,9,11,13-heptaynyl-8-tetradeca-1,3,5,7,9,11,13-heptaynyl-7-trideca-1,3,5,7,9,11-hexaynyldibenzothiophene?

The InChIKey is YKIGRZMFYZFXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C136H16S/c1-9-17-25-33-41-49-57-63-67-69-72-77-84-92-100-108-116-124-132-128(120-112-104-96-89-81-76-71-68-64-58-50-42-34-26-18-10-2)126(118-110-102-94-88-80-75-70-65-59-51-43-35-27-19-11-3)130(122-114-106-98-91-83-74-66-60-52-44-36-28-20-12-4)134-133-129(121-113-105-97-90-82-73-61-53-45-37-29-21-13-5)125(117-109-101-93-87-79-62-54-46-38-30-22-14-6)127(119-111-103-95-86-78-55-47-39-31-23-15-7)131(135(133)137-136(132)134)123-115-107-99-85-56-48-40-32-24-16-8/h2,4,6,8H,1,3,5,7H3.

What are the key properties of 6-dodeca-1,3,5,7,9,11-hexaynyl-2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-1-hexadeca-1,3,5,7,9,11,13,15-octaynyl-4-nonadeca-1,3,5,7,9,11,13,15,17-nonaynyl-3-octadeca-1,3,5,7,9,11,13,15,17-nonaynyl-9-pentadeca-1,3,5,7,9,11,13-heptaynyl-8-tetradeca-1,3,5,7,9,11,13-heptaynyl-7-trideca-1,3,5,7,9,11-hexaynyldibenzothiophene?

6-dodeca-1,3,5,7,9,11-hexaynyl-2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-1-hexadeca-1,3,5,7,9,11,13,15-octaynyl-4-nonadeca-1,3,5,7,9,11,13,15,17-nonaynyl-3-octadeca-1,3,5,7,9,11,13,15,17-nonaynyl-9-pentadeca-1,3,5,7,9,11,13-heptaynyl-8-tetradeca-1,3,5,7,9,11,13-heptaynyl-7-trideca-1,3,5,7,9,11-hexaynyldibenzothiophene has a molecular weight of 1681.69 g/mol, XLogP of 5.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-dodeca-1,3,5,7,9,11-hexaynyl-2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-1-hexadeca-1,3,5,7,9,11,13,15-octaynyl-4-nonadeca-1,3,5,7,9,11,13,15,17-nonaynyl-3-octadeca-1,3,5,7,9,11,13,15,17-nonaynyl-9-pentadeca-1,3,5,7,9,11,13-heptaynyl-8-tetradeca-1,3,5,7,9,11,13-heptaynyl-7-trideca-1,3,5,7,9,11-hexaynyldibenzothiophene is sourced from PubChem (CID 90265504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).