9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine

C57H51N — CID 170445654

About 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine (PubChem CID 170445654) has the molecular formula C57H51N and a molecular weight of 750.04 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine
• PubChem CID: 170445654
• Molecular Formula: C57H51N
• Molecular Weight: 750.04 g/mol
• Exact Mass: 749.40
• IUPAC Name: 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine
• SMILES: CC1(C)CCC(C)(C)c2c(-c3ccc(-c4cc5c(cc4N(c4ccccc4)c4ccc(-c6ccc7ccccc7c6)cc4)C(C)(C)c4ccccc4-5)cc3)cccc21
• InChI: InChI=1S/C57H51N/c1-55(2)33-34-56(3,4)54-46(20-14-22-51(54)55)40-24-26-41(27-25-40)48-36-49-47-19-12-13-21-50(47)57(5,6)52(49)37-53(48)58(44-17-8-7-9-18-44)45-31-29-39(30-32-45)43-28-23-38-15-10-11-16-42(38)35-43/h7-32,35-37H,33-34H2,1-6H3
• InChIKey: ODAPMMQXKJKCCI-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.04
LogP ≤ 5	15.97
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-2-ylphenyl)-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine (CID 170445654) is 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine is CC1(C)CCC(C)(C)c2c(-c3ccc(-c4cc5c(cc4N(c4ccccc4)c4ccc(-c6ccc7ccccc7c6)cc4)C(C)(C)c4ccccc4-5)cc3)cccc21.

What is the InChIKey of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine?

The InChIKey is ODAPMMQXKJKCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H51N/c1-55(2)33-34-56(3,4)54-46(20-14-22-51(54)55)40-24-26-41(27-25-40)48-36-49-47-19-12-13-21-50(47)57(5,6)52(49)37-53(48)58(44-17-8-7-9-18-44)45-31-29-39(30-32-45)43-28-23-38-15-10-11-16-42(38)35-43/h7-32,35-37H,33-34H2,1-6H3.

What are the key properties of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine?

9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine has a molecular weight of 750.04 g/mol, XLogP of 15.97, 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-2-ylphenyl)-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170445654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).