N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

C71H47NO2 — CID 138476302

About N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 138476302) has the molecular formula C71H47NO2 and a molecular weight of 946.16 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
• PubChem CID: 138476302
• Molecular Formula: C71H47NO2
• Molecular Weight: 946.16 g/mol
• Exact Mass: 945.36
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc21
• InChI: InChI=1S/C71H47NO2/c1-69(2)55-20-6-3-17-49(55)52-39-36-47(42-62(52)69)72(48-37-40-54-51-19-5-8-22-57(51)71(64(54)43-48)60-25-11-15-29-67(60)74-68-30-16-12-26-61(68)71)46-34-31-44(32-35-46)45-33-38-53-50-18-4-7-21-56(50)70(63(53)41-45)58-23-9-13-27-65(58)73-66-28-14-10-24-59(66)70/h3-43H,1-2H3
• InChIKey: KHDGQXAEENEDBZ-UHFFFAOYSA-N
• XLogP: 18.07
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	946.16
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 138476302) is N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

The InChIKey is KHDGQXAEENEDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47NO2/c1-69(2)55-20-6-3-17-49(55)52-39-36-47(42-62(52)69)72(48-37-40-54-51-19-5-8-22-57(51)71(64(54)43-48)60-25-11-15-29-67(60)74-68-30-16-12-26-61(68)71)46-34-31-44(32-35-46)45-33-38-53-50-18-4-7-21-56(50)70(63(53)41-45)58-23-9-13-27-65(58)73-66-28-14-10-24-59(66)70/h3-43H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 946.16 g/mol, XLogP of 18.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 138476302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).