9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine

C55H41N — CID 169020176

About 9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine

9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine (PubChem CID 169020176) has the molecular formula C55H41N and a molecular weight of 715.94 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine
• PubChem CID: 169020176
• Molecular Formula: C55H41N
• Molecular Weight: 715.94 g/mol
• Exact Mass: 715.32
• IUPAC Name: 9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine
• SMILES: CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3cccc(-c4ccccc4-c4ccccc4)c3)cccc21
• InChI: InChI=1S/C55H41N/c1-55(2)51-23-11-10-22-50(51)54-52(55)24-13-25-53(54)56(47-19-12-18-45(37-47)49-21-9-8-20-48(49)42-15-4-3-5-16-42)46-34-32-40(33-35-46)39-26-28-41(29-27-39)44-31-30-38-14-6-7-17-43(38)36-44/h3-37H,1-2H3
• InChIKey: RTRPHJVGFHDUAR-UHFFFAOYSA-N
• XLogP: 15.28
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.94
LogP ≤ 5	15.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine?

The IUPAC name of 9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine (CID 169020176) is 9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine.

What is the SMILES notation for 9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine?

The canonical SMILES for 9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3cccc(-c4ccccc4-c4ccccc4)c3)cccc21.

What is the InChIKey of 9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine?

The InChIKey is RTRPHJVGFHDUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N/c1-55(2)51-23-11-10-22-50(51)54-52(55)24-13-25-53(54)56(47-19-12-18-45(37-47)49-21-9-8-20-48(49)42-15-4-3-5-16-42)46-34-32-40(33-35-46)39-26-28-41(29-27-39)44-31-30-38-14-6-7-17-43(38)36-44/h3-37H,1-2H3.

What are the key properties of 9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine?

9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine has a molecular weight of 715.94 g/mol, XLogP of 15.28, 7 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-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 169020176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).