N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine

C62H44N2 — CID 155240509

About N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine (PubChem CID 155240509) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
• PubChem CID: 155240509
• Molecular Formula: C62H44N2
• Molecular Weight: 817.05 g/mol
• Exact Mass: 816.35
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)cc21
• InChI: InChI=1S/C62H44N2/c1-61(2)53-25-10-8-22-49(53)51-37-35-45(39-57(51)61)63(44-33-31-42(32-34-44)48-24-16-18-41-17-6-7-21-47(41)48)46-36-38-52-50-23-9-11-26-54(50)62(58(52)40-46)55-27-12-14-29-59(55)64(43-19-4-3-5-20-43)60-30-15-13-28-56(60)62/h3-40H,1-2H3
• InChIKey: FKLTVVRAPGRAQJ-UHFFFAOYSA-N
• XLogP: 16.43
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.05
LogP ≤ 5	16.43
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-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine (CID 155240509) is N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?

The InChIKey is FKLTVVRAPGRAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2/c1-61(2)53-25-10-8-22-49(53)51-37-35-45(39-57(51)61)63(44-33-31-42(32-34-44)48-24-16-18-41-17-6-7-21-47(41)48)46-36-38-52-50-23-9-11-26-54(50)62(58(52)40-46)55-27-12-14-29-59(55)64(43-19-4-3-5-20-43)60-30-15-13-28-56(60)62/h3-40H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine has a molecular weight of 817.05 g/mol, XLogP of 16.43, 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-(4-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 155240509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).