9-[1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-1-yl]dibenzofuran-2-yl]-3-phenylcarbazole

C64H40N4O — CID 166744285

About 9-[1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-1-yl]dibenzofuran-2-yl]-3-phenylcarbazole

9-[1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-1-yl]dibenzofuran-2-yl]-3-phenylcarbazole (PubChem CID 166744285) has the molecular formula C64H40N4O and a molecular weight of 881.05 g/mol. Its IUPAC name is 9-[1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-1-yl]dibenzofuran-2-yl]-3-phenylcarbazole.

Molecular Properties

• Compound Name: 9-[1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-1-yl]dibenzofuran-2-yl]-3-phenylcarbazole
• PubChem CID: 166744285
• Molecular Formula: C64H40N4O
• Molecular Weight: 881.05 g/mol
• Exact Mass: 880.32
• IUPAC Name: 9-[1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-1-yl]dibenzofuran-2-yl]-3-phenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccccc4c3c2-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c3c2Cc2ccccc2-3)cc1
• InChI: InChI=1S/C64H40N4O/c1-4-17-40(18-5-1)43-31-34-55-52(38-43)49-27-12-14-29-54(49)68(55)56-35-36-58-61(51-28-13-15-30-57(51)69-58)60(56)50-33-32-48(59-47-26-11-10-23-45(47)39-53(50)59)44-24-16-25-46(37-44)64-66-62(41-19-6-2-7-20-41)65-63(67-64)42-21-8-3-9-22-42/h1-38H,39H2
• InChIKey: JMRRFPWBEKTJID-UHFFFAOYSA-N
• XLogP: 16.44
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.05
LogP ≤ 5	16.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-1-yl]dibenzofuran-2-yl]-3-phenylcarbazole?

The IUPAC name of 9-[1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-1-yl]dibenzofuran-2-yl]-3-phenylcarbazole (CID 166744285) is 9-[1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-1-yl]dibenzofuran-2-yl]-3-phenylcarbazole.

What is the SMILES notation for 9-[1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-1-yl]dibenzofuran-2-yl]-3-phenylcarbazole?

The canonical SMILES for 9-[1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-1-yl]dibenzofuran-2-yl]-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccccc4c3c2-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c3c2Cc2ccccc2-3)cc1.

What is the InChIKey of 9-[1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-1-yl]dibenzofuran-2-yl]-3-phenylcarbazole?

The InChIKey is JMRRFPWBEKTJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N4O/c1-4-17-40(18-5-1)43-31-34-55-52(38-43)49-27-12-14-29-54(49)68(55)56-35-36-58-61(51-28-13-15-30-57(51)69-58)60(56)50-33-32-48(59-47-26-11-10-23-45(47)39-53(50)59)44-24-16-25-46(37-44)64-66-62(41-19-6-2-7-20-41)65-63(67-64)42-21-8-3-9-22-42/h1-38H,39H2.

What are the key properties of 9-[1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-1-yl]dibenzofuran-2-yl]-3-phenylcarbazole?

9-[1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-1-yl]dibenzofuran-2-yl]-3-phenylcarbazole has a molecular weight of 881.05 g/mol, XLogP of 16.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-1-yl]dibenzofuran-2-yl]-3-phenylcarbazole is sourced from PubChem (CID 166744285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).