N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;methane

C104H78N2 — CID 159092939

About N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;methane

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;methane (PubChem CID 159092939) has the molecular formula C104H78N2 and a molecular weight of 1355.78 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;methane.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;methane
• PubChem CID: 159092939
• Molecular Formula: C104H78N2
• Molecular Weight: 1355.78 g/mol
• Exact Mass: 1354.62
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;methane
• SMILES: C.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.Cc1cc(-c2ccccc2)cc(C)c1N(c1ccc(-c2ccccc2)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
• InChI: InChI=1S/C52H37N.C51H37N.CH4/c1-51(2)44-22-10-6-17-38(44)42-32-31-37(33-48(42)51)53(36-29-27-35(28-30-36)34-15-4-3-5-16-34)49-26-14-21-43-41-20-9-13-25-47(41)52(50(43)49)45-23-11-7-18-39(45)40-19-8-12-24-46(40)52;1-34-32-39(37-18-7-4-8-19-37)33-35(2)50(34)52(40-30-28-38(29-31-40)36-16-5-3-6-17-36)48-27-15-26-47-49(48)43-22-11-14-25-46(43)51(47)44-23-12-9-20-41(44)42-21-10-13-24-45(42)51;/h3-33H,1-2H3;3-33H,1-2H3;1H4
• InChIKey: KCHNOETYHJHQLI-UHFFFAOYSA-N
• XLogP: 27.56
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1355.78
LogP ≤ 5	27.56
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-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;methane?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;methane (CID 159092939) is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;methane.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;methane?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;methane is C.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.Cc1cc(-c2ccccc2)cc(C)c1N(c1ccc(-c2ccccc2)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;methane?

The InChIKey is KCHNOETYHJHQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N.C51H37N.CH4/c1-51(2)44-22-10-6-17-38(44)42-32-31-37(33-48(42)51)53(36-29-27-35(28-30-36)34-15-4-3-5-16-34)49-26-14-21-43-41-20-9-13-25-47(41)52(50(43)49)45-23-11-7-18-39(45)40-19-8-12-24-46(40)52;1-34-32-39(37-18-7-4-8-19-37)33-35(2)50(34)52(40-30-28-38(29-31-40)36-16-5-3-6-17-36)48-27-15-26-47-49(48)43-22-11-14-25-46(43)51(47)44-23-12-9-20-41(44)42-21-10-13-24-45(42)51;/h3-33H,1-2H3;3-33H,1-2H3;1H4.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;methane?

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;methane has a molecular weight of 1355.78 g/mol, XLogP of 27.56, 9 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-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;methane is sourced from PubChem (CID 159092939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).