N-(9,9-dimethylfluoren-2-yl)-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-4a,9b-dihydrodibenzofuran-4-amine

C64H45NO — CID 155218062

About N-(9,9-dimethylfluoren-2-yl)-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-4a,9b-dihydrodibenzofuran-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-4a,9b-dihydrodibenzofuran-4-amine (PubChem CID 155218062) has the molecular formula C64H45NO and a molecular weight of 844.07 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-4a,9b-dihydrodibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-4a,9b-dihydrodibenzofuran-4-amine
• PubChem CID: 155218062
• Molecular Formula: C64H45NO
• Molecular Weight: 844.07 g/mol
• Exact Mass: 843.35
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-4a,9b-dihydrodibenzofuran-4-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(C3=CC=CC4c5ccccc5OC34)c3cc(-c4ccccc4)ccc3-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
• InChI: InChI=1S/C64H45NO/c1-63(2)53-25-11-6-19-45(53)49-35-33-43(39-58(49)63)65(59-29-16-24-51-50-23-10-15-30-61(50)66-62(51)59)60-38-41(40-17-4-3-5-18-40)31-34-44(60)42-32-36-57-52(37-42)48-22-9-14-28-56(48)64(57)54-26-12-7-20-46(54)47-21-8-13-27-55(47)64/h3-39,51,62H,1-2H3
• InChIKey: HICMZFRNZFDKOZ-UHFFFAOYSA-N
• XLogP: 15.81
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.07
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-4a,9b-dihydrodibenzofuran-4-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-4a,9b-dihydrodibenzofuran-4-amine (CID 155218062) is N-(9,9-dimethylfluoren-2-yl)-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-4a,9b-dihydrodibenzofuran-4-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-4a,9b-dihydrodibenzofuran-4-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-4a,9b-dihydrodibenzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(N(C3=CC=CC4c5ccccc5OC34)c3cc(-c4ccccc4)ccc3-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-4a,9b-dihydrodibenzofuran-4-amine?

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

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-4a,9b-dihydrodibenzofuran-4-amine?

N-(9,9-dimethylfluoren-2-yl)-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-4a,9b-dihydrodibenzofuran-4-amine has a molecular weight of 844.07 g/mol, XLogP of 15.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-4a,9b-dihydrodibenzofuran-4-amine is sourced from PubChem (CID 155218062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).