N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

C70H47NO — CID 130379490

About N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 130379490) has the molecular formula C70H47NO and a molecular weight of 918.15 g/mol. Its IUPAC name is N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
• PubChem CID: 130379490
• Molecular Formula: C70H47NO
• Molecular Weight: 918.15 g/mol
• Exact Mass: 917.37
• IUPAC Name: N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)c5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c3ccccc3-c3ccccc3)cc21
• InChI: InChI=1S/C70H47NO/c1-69(2)59-29-12-6-22-50(59)53-40-39-47(43-63(53)69)71(64-33-16-10-21-48(64)44-19-4-3-5-20-44)46-37-35-45(36-38-46)49-41-42-55(57-28-18-27-56-54-25-11-17-34-65(54)72-68(56)57)66-58-26-9-15-32-62(58)70(67(49)66)60-30-13-7-23-51(60)52-24-8-14-31-61(52)70/h3-43H,1-2H3
• InChIKey: OVMONOXAMGNQTH-UHFFFAOYSA-N
• XLogP: 18.71
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.15
LogP ≤ 5	18.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (CID 130379490) is N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)c5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c3ccccc3-c3ccccc3)cc21.

What is the InChIKey of N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?

The InChIKey is OVMONOXAMGNQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47NO/c1-69(2)59-29-12-6-22-50(59)53-40-39-47(43-63(53)69)71(64-33-16-10-21-48(64)44-19-4-3-5-20-44)46-37-35-45(36-38-46)49-41-42-55(57-28-18-27-56-54-25-11-17-34-65(54)72-68(56)57)66-58-26-9-15-32-62(58)70(67(49)66)60-30-13-7-23-51(60)52-24-8-14-31-61(52)70/h3-43H,1-2H3.

What are the key properties of N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?

N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 918.15 g/mol, XLogP of 18.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 130379490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).