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

C70H41N3O2S — CID 166002387

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

2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 166002387) has the molecular formula C70H41N3O2S and a molecular weight of 988.18 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
• PubChem CID: 166002387
• Molecular Formula: C70H41N3O2S
• Molecular Weight: 988.18 g/mol
• Exact Mass: 987.29
• IUPAC Name: 2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(-c5ccc6oc7cccc(-c8nc(-c9ccc%10oc%11ccccc%11c%10c9)nc(-c9cccc%10sc%11ccccc%11c9%10)n8)c7c6c5)cc4)cccc32)cc1
• InChI: InChI=1S/C70H41N3O2S/c1-3-16-46(17-4-1)70(47-18-5-2-6-19-47)56-26-10-7-21-50(56)64-48(23-13-27-57(64)70)43-34-32-42(33-35-43)44-36-38-60-55(40-44)65-52(24-14-29-61(65)75-60)68-71-67(45-37-39-59-54(41-45)49-20-8-11-28-58(49)74-59)72-69(73-68)53-25-15-31-63-66(53)51-22-9-12-30-62(51)76-63/h1-41H
• InChIKey: HSDVCSRQAQYUQP-UHFFFAOYSA-N
• XLogP: 18.74
• TPSA: 64.95 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	988.18
LogP ≤ 5	18.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (CID 166002387) is 2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(-c5ccc6oc7cccc(-c8nc(-c9ccc%10oc%11ccccc%11c%10c9)nc(-c9cccc%10sc%11ccccc%11c9%10)n8)c7c6c5)cc4)cccc32)cc1.

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

The InChIKey is HSDVCSRQAQYUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H41N3O2S/c1-3-16-46(17-4-1)70(47-18-5-2-6-19-47)56-26-10-7-21-50(56)64-48(23-13-27-57(64)70)43-34-32-42(33-35-43)44-36-38-60-55(40-44)65-52(24-14-29-61(65)75-60)68-71-67(45-37-39-59-54(41-45)49-20-8-11-28-58(49)74-59)72-69(73-68)53-25-15-31-63-66(53)51-22-9-12-30-62(51)76-63/h1-41H.

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

2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 988.18 g/mol, XLogP of 18.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 166002387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).