N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-di(spiro[4.4]nonan-3-yl)-9,9'-spirobi[fluorene]-4-amine

C70H65N — CID 169286039

About N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-di(spiro[4.4]nonan-3-yl)-9,9'-spirobi[fluorene]-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-di(spiro[4.4]nonan-3-yl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 169286039) has the molecular formula C70H65N and a molecular weight of 920.30 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-di(spiro[4.4]nonan-3-yl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-di(spiro[4.4]nonan-3-yl)-9,9'-spirobi[fluorene]-4-amine
• PubChem CID: 169286039
• Molecular Formula: C70H65N
• Molecular Weight: 920.30 g/mol
• Exact Mass: 919.51
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-di(spiro[4.4]nonan-3-yl)-9,9'-spirobi[fluorene]-4-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4cc(C5CCC6(CCCC6)C5)ccc4-c4ccc(C5CCC6(CCCC6)C5)cc43)cc21
• InChI: InChI=1S/C70H65N/c1-67(2)58-22-9-6-20-53(58)54-32-29-51(43-61(54)67)71(64-25-11-8-19-52(64)46-17-4-3-5-18-46)65-26-16-24-60-66(65)57-21-7-10-23-59(57)70(60)62-41-47(49-33-39-68(44-49)35-12-13-36-68)27-30-55(62)56-31-28-48(42-63(56)70)50-34-40-69(45-50)37-14-15-38-69/h3-11,16-32,41-43,49-50H,12-15,33-40,44-45H2,1-2H3
• InChIKey: RUQVFNKJZOTENW-UHFFFAOYSA-N
• XLogP: 19.13
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.30
LogP ≤ 5	19.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-di(spiro[4.4]nonan-3-yl)-9,9'-spirobi[fluorene]-4-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-di(spiro[4.4]nonan-3-yl)-9,9'-spirobi[fluorene]-4-amine (CID 169286039) is N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-di(spiro[4.4]nonan-3-yl)-9,9'-spirobi[fluorene]-4-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-di(spiro[4.4]nonan-3-yl)-9,9'-spirobi[fluorene]-4-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-di(spiro[4.4]nonan-3-yl)-9,9'-spirobi[fluorene]-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4cc(C5CCC6(CCCC6)C5)ccc4-c4ccc(C5CCC6(CCCC6)C5)cc43)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-di(spiro[4.4]nonan-3-yl)-9,9'-spirobi[fluorene]-4-amine?

The InChIKey is RUQVFNKJZOTENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H65N/c1-67(2)58-22-9-6-20-53(58)54-32-29-51(43-61(54)67)71(64-25-11-8-19-52(64)46-17-4-3-5-18-46)65-26-16-24-60-66(65)57-21-7-10-23-59(57)70(60)62-41-47(49-33-39-68(44-49)35-12-13-36-68)27-30-55(62)56-31-28-48(42-63(56)70)50-34-40-69(45-50)37-14-15-38-69/h3-11,16-32,41-43,49-50H,12-15,33-40,44-45H2,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-di(spiro[4.4]nonan-3-yl)-9,9'-spirobi[fluorene]-4-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-di(spiro[4.4]nonan-3-yl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 920.30 g/mol, XLogP of 19.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-di(spiro[4.4]nonan-3-yl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 169286039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).