15-(9-methyl-9-phenylfluoren-1-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

C36H24S — CID 177126833

About 15-(9-methyl-9-phenylfluoren-1-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

15-(9-methyl-9-phenylfluoren-1-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (PubChem CID 177126833) has the molecular formula C36H24S and a molecular weight of 488.66 g/mol. Its IUPAC name is 15-(9-methyl-9-phenylfluoren-1-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.

Molecular Properties

• Compound Name: 15-(9-methyl-9-phenylfluoren-1-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
• PubChem CID: 177126833
• Molecular Formula: C36H24S
• Molecular Weight: 488.66 g/mol
• Exact Mass: 488.16
• IUPAC Name: 15-(9-methyl-9-phenylfluoren-1-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
• SMILES: CC1(c2ccccc2)c2ccccc2-c2cccc(-c3cc4c5c(cccc5c3)Sc3ccccc3-4)c21
• InChI: InChI=1S/C36H24S/c1-36(25-12-3-2-4-13-25)31-18-7-5-14-27(31)29-17-10-16-26(35(29)36)24-21-23-11-9-20-33-34(23)30(22-24)28-15-6-8-19-32(28)37-33/h2-22H,1H3
• InChIKey: YUWOEBVNZMQNFI-UHFFFAOYSA-N
• XLogP: 9.97
• TPSA: 0.00 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.66
LogP ≤ 5	9.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 15-(9-methyl-9-phenylfluoren-1-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?

The IUPAC name of 15-(9-methyl-9-phenylfluoren-1-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (CID 177126833) is 15-(9-methyl-9-phenylfluoren-1-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.

What is the SMILES notation for 15-(9-methyl-9-phenylfluoren-1-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?

The canonical SMILES for 15-(9-methyl-9-phenylfluoren-1-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is CC1(c2ccccc2)c2ccccc2-c2cccc(-c3cc4c5c(cccc5c3)Sc3ccccc3-4)c21.

What is the InChIKey of 15-(9-methyl-9-phenylfluoren-1-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?

The InChIKey is YUWOEBVNZMQNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24S/c1-36(25-12-3-2-4-13-25)31-18-7-5-14-27(31)29-17-10-16-26(35(29)36)24-21-23-11-9-20-33-34(23)30(22-24)28-15-6-8-19-32(28)37-33/h2-22H,1H3.

What are the key properties of 15-(9-methyl-9-phenylfluoren-1-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?

15-(9-methyl-9-phenylfluoren-1-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene has a molecular weight of 488.66 g/mol, XLogP of 9.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(9-methyl-9-phenylfluoren-1-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is sourced from PubChem (CID 177126833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).