N-(9,9-dimethylfluoren-2-yl)-N-(4,7-dimethylnaphthalen-2-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine

C46H41N — CID 174310180

About N-(9,9-dimethylfluoren-2-yl)-N-(4,7-dimethylnaphthalen-2-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4,7-dimethylnaphthalen-2-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine (PubChem CID 174310180) has the molecular formula C46H41N and a molecular weight of 607.84 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4,7-dimethylnaphthalen-2-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(4,7-dimethylnaphthalen-2-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
• PubChem CID: 174310180
• Molecular Formula: C46H41N
• Molecular Weight: 607.84 g/mol
• Exact Mass: 607.32
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(4,7-dimethylnaphthalen-2-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
• SMILES: Cc1ccc2c(C)cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(CC5CCC3C5)c3ccccc3-4)cc2c1
• InChI: InChI=1S/C46H41N/c1-28-13-18-36-29(2)22-35(24-31(36)21-28)47(33-16-19-39-37-9-5-7-11-41(37)45(3,4)43(39)25-33)34-17-20-40-38-10-6-8-12-42(38)46(44(40)26-34)27-30-14-15-32(46)23-30/h5-13,16-22,24-26,30,32H,14-15,23,27H2,1-4H3
• InChIKey: PLJJIVRWIDUZKQ-UHFFFAOYSA-N
• XLogP: 12.32
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.84
LogP ≤ 5	12.32
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-(4,7-dimethylnaphthalen-2-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4,7-dimethylnaphthalen-2-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine (CID 174310180) is N-(9,9-dimethylfluoren-2-yl)-N-(4,7-dimethylnaphthalen-2-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4,7-dimethylnaphthalen-2-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4,7-dimethylnaphthalen-2-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine is Cc1ccc2c(C)cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(CC5CCC3C5)c3ccccc3-4)cc2c1.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4,7-dimethylnaphthalen-2-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?

The InChIKey is PLJJIVRWIDUZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41N/c1-28-13-18-36-29(2)22-35(24-31(36)21-28)47(33-16-19-39-37-9-5-7-11-41(37)45(3,4)43(39)25-33)34-17-20-40-38-10-6-8-12-42(38)46(44(40)26-34)27-30-14-15-32(46)23-30/h5-13,16-22,24-26,30,32H,14-15,23,27H2,1-4H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4,7-dimethylnaphthalen-2-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(4,7-dimethylnaphthalen-2-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine has a molecular weight of 607.84 g/mol, XLogP of 12.32, 3 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-(4,7-dimethylnaphthalen-2-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 174310180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).