9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine

C65H53N — CID 156568019

About 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine (PubChem CID 156568019) has the molecular formula C65H53N and a molecular weight of 848.15 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
• PubChem CID: 156568019
• Molecular Formula: C65H53N
• Molecular Weight: 848.15 g/mol
• Exact Mass: 847.42
• IUPAC Name: 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
• SMILES: CC1(C)c2ccc(-c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc21
• InChI: InChI=1S/C65H53N/c1-64(2)60-31-23-47(48-24-32-62-59(39-48)56-16-8-9-18-61(56)65(62)49-34-41-33-42(36-49)37-50(65)35-41)38-58(60)57-30-29-53(40-63(57)64)66(51-25-19-44(20-26-51)43-11-4-3-5-12-43)52-27-21-46(22-28-52)55-17-10-14-45-13-6-7-15-54(45)55/h3-32,38-42,49-50H,33-37H2,1-2H3
• InChIKey: RUQIDGLTOCKHNX-UHFFFAOYSA-N
• XLogP: 17.34
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.15
LogP ≤ 5	17.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine (CID 156568019) is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine is CC1(C)c2ccc(-c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine?

The InChIKey is RUQIDGLTOCKHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H53N/c1-64(2)60-31-23-47(48-24-32-62-59(39-48)56-16-8-9-18-61(56)65(62)49-34-41-33-42(36-49)37-50(65)35-41)38-58(60)57-30-29-53(40-63(57)64)66(51-25-19-44(20-26-51)43-11-4-3-5-12-43)52-27-21-46(22-28-52)55-17-10-14-45-13-6-7-15-54(45)55/h3-32,38-42,49-50H,33-37H2,1-2H3.

What are the key properties of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine?

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine has a molecular weight of 848.15 g/mol, XLogP of 17.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine is sourced from PubChem (CID 156568019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).