N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine

C64H45NO — CID 135193296

About N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine

N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine (PubChem CID 135193296) has the molecular formula C64H45NO and a molecular weight of 844.07 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine.

Molecular Properties

• Compound Name: N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
• PubChem CID: 135193296
• Molecular Formula: C64H45NO
• Molecular Weight: 844.07 g/mol
• Exact Mass: 843.35
• IUPAC Name: N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc21
• InChI: InChI=1S/C64H45NO/c1-63(2)55-29-12-9-24-50(55)51-39-36-43(41-58(51)63)42-34-37-47(38-35-42)65(48-23-15-18-44(40-48)49-27-16-28-53-52-25-11-14-33-60(52)66-62(49)53)59-32-17-31-57-61(59)54-26-10-13-30-56(54)64(57,45-19-5-3-6-20-45)46-21-7-4-8-22-46/h3-41H,1-2H3
• InChIKey: NHYCMWKVGWAIHE-UHFFFAOYSA-N
• XLogP: 17.06
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.07
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine?

The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine (CID 135193296) is N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine.

What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine?

The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc21.

What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine?

The InChIKey is NHYCMWKVGWAIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45NO/c1-63(2)55-29-12-9-24-50(55)51-39-36-43(41-58(51)63)42-34-37-47(38-35-42)65(48-23-15-18-44(40-48)49-27-16-28-53-52-25-11-14-33-60(52)66-62(49)53)59-32-17-31-57-61(59)54-26-10-13-30-56(54)64(57,45-19-5-3-6-20-45)46-21-7-4-8-22-46/h3-41H,1-2H3.

What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine?

N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine has a molecular weight of 844.07 g/mol, XLogP of 17.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 135193296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).