2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine

C60H37N3O2S — CID 166002305

About 2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine

2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 166002305) has the molecular formula C60H37N3O2S and a molecular weight of 864.04 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
• PubChem CID: 166002305
• Molecular Formula: C60H37N3O2S
• Molecular Weight: 864.04 g/mol
• Exact Mass: 863.26
• IUPAC Name: 2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2c(-c3cccc(-c4ccc5oc6cccc(-c7nc(-c8ccc9sc%10ccccc%10c9c8)nc(-c8cccc9oc%10ccccc%10c89)n7)c6c5c4)c3)cccc21
• InChI: InChI=1S/C60H37N3O2S/c1-60(2)46-21-6-3-16-40(46)54-38(18-10-22-47(54)60)36-14-9-13-34(31-36)35-27-29-49-45(32-35)56-43(20-12-25-51(56)65-49)59-62-57(37-28-30-53-44(33-37)39-15-5-8-26-52(39)66-53)61-58(63-59)42-19-11-24-50-55(42)41-17-4-7-23-48(41)64-50/h3-33H,1-2H3
• InChIKey: CELBRJJGADTLRS-UHFFFAOYSA-N
• XLogP: 16.68
• TPSA: 64.95 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	864.04
LogP ≤ 5	16.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (CID 166002305) is 2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3cccc(-c4ccc5oc6cccc(-c7nc(-c8ccc9sc%10ccccc%10c9c8)nc(-c8cccc9oc%10ccccc%10c89)n7)c6c5c4)c3)cccc21.

What is the InChIKey of 2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?

The InChIKey is CELBRJJGADTLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3O2S/c1-60(2)46-21-6-3-16-40(46)54-38(18-10-22-47(54)60)36-14-9-13-34(31-36)35-27-29-49-45(32-35)56-43(20-12-25-51(56)65-49)59-62-57(37-28-30-53-44(33-37)39-15-5-8-26-52(39)66-53)61-58(63-59)42-19-11-24-50-55(42)41-17-4-7-23-48(41)64-50/h3-33H,1-2H3.

What are the key properties of 2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?

2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 864.04 g/mol, XLogP of 16.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 166002305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).