2-(9,9-dimethylfluoren-4-yl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-6-phenyl-1,3,5-triazine

C40H27N3O — CID 164937269

About 2-(9,9-dimethylfluoren-4-yl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-6-phenyl-1,3,5-triazine

2-(9,9-dimethylfluoren-4-yl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-6-phenyl-1,3,5-triazine (PubChem CID 164937269) has the molecular formula C40H27N3O and a molecular weight of 565.68 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(9,9-dimethylfluoren-4-yl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-6-phenyl-1,3,5-triazine
• PubChem CID: 164937269
• Molecular Formula: C40H27N3O
• Molecular Weight: 565.68 g/mol
• Exact Mass: 565.22
• IUPAC Name: 2-(9,9-dimethylfluoren-4-yl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-6-phenyl-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)-c4cccc6cccc(c46)O5)n3)cccc21
• InChI: InChI=1S/C40H27N3O/c1-40(2)31-18-7-6-15-28(31)36-29(17-10-19-32(36)40)39-42-37(25-11-4-3-5-12-25)41-38(43-39)26-21-22-33-30(23-26)27-16-8-13-24-14-9-20-34(44-33)35(24)27/h3-23H,1-2H3
• InChIKey: FDXVVHRILJWVKR-UHFFFAOYSA-N
• XLogP: 10.10
• TPSA: 47.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.68
LogP ≤ 5	10.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-6-phenyl-1,3,5-triazine (CID 164937269) is 2-(9,9-dimethylfluoren-4-yl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)-c4cccc6cccc(c46)O5)n3)cccc21.

What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-6-phenyl-1,3,5-triazine?

The InChIKey is FDXVVHRILJWVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3O/c1-40(2)31-18-7-6-15-28(31)36-29(17-10-19-32(36)40)39-42-37(25-11-4-3-5-12-25)41-38(43-39)26-21-22-33-30(23-26)27-16-8-13-24-14-9-20-34(44-33)35(24)27/h3-23H,1-2H3.

What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-6-phenyl-1,3,5-triazine?

2-(9,9-dimethylfluoren-4-yl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 565.68 g/mol, XLogP of 10.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-dimethylfluoren-4-yl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 164937269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).