9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine

C59H41N3O — CID 170093188

About 9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine

9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine (PubChem CID 170093188) has the molecular formula C59H41N3O and a molecular weight of 808.00 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine
• PubChem CID: 170093188
• Molecular Formula: C59H41N3O
• Molecular Weight: 808.00 g/mol
• Exact Mass: 807.32
• IUPAC Name: 9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)oc4cccc(-c6nc(-c7ccccc7)cc(-c7ccc8ccccc8c7)n6)c45)cc3)cc21
• InChI: InChI=1S/C59H41N3O/c1-59(2)51-22-12-11-20-47(51)48-33-31-46(36-52(48)59)62(44-18-7-4-8-19-44)45-29-26-39(27-30-45)42-28-32-49-56(35-42)63-55-23-13-21-50(57(49)55)58-60-53(40-15-5-3-6-16-40)37-54(61-58)43-25-24-38-14-9-10-17-41(38)34-43/h3-37H,1-2H3
• InChIKey: BXNFREKEIXMLCK-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 42.16 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.00
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine (CID 170093188) is 9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)oc4cccc(-c6nc(-c7ccccc7)cc(-c7ccc8ccccc8c7)n6)c45)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine?

The InChIKey is BXNFREKEIXMLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3O/c1-59(2)51-22-12-11-20-47(51)48-33-31-46(36-52(48)59)62(44-18-7-4-8-19-44)45-29-26-39(27-30-45)42-28-32-49-56(35-42)63-55-23-13-21-50(57(49)55)58-60-53(40-15-5-3-6-16-40)37-54(61-58)43-25-24-38-14-9-10-17-41(38)34-43/h3-37H,1-2H3.

What are the key properties of 9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine?

9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine has a molecular weight of 808.00 g/mol, XLogP of 15.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine is sourced from PubChem (CID 170093188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).