9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine

C55H41N — CID 171451946

About 9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine

9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 171451946) has the molecular formula C55H41N and a molecular weight of 723.99 g/mol. Its IUPAC name is 9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
• PubChem CID: 171451946
• Molecular Formula: C55H41N
• Molecular Weight: 723.99 g/mol
• Exact Mass: 723.37
• IUPAC Name: 9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
• SMILES: [2H]c1c([2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2c([2H])c([2H])c(-c3cccc(-c4ccc5ccccc5c4)c3)c([2H])c2[2H])c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C55H41N/c1-55(2)53-21-9-8-20-51(53)52-33-32-50(37-54(52)55)56(48-28-24-40(25-29-48)44-17-10-16-43(34-44)38-12-4-3-5-13-38)49-30-26-41(27-31-49)45-18-11-19-46(35-45)47-23-22-39-14-6-7-15-42(39)36-47/h3-37H,1-2H3/i24D,25D,26D,27D,28D,29D,30D,31D
• InChIKey: BQXXDASBYWHUTB-XMTJRKPZSA-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	723.99
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-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine (CID 171451946) is 9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine is [2H]c1c([2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2c([2H])c([2H])c(-c3cccc(-c4ccc5ccccc5c4)c3)c([2H])c2[2H])c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1.

What is the InChIKey of 9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine?

The InChIKey is BQXXDASBYWHUTB-XMTJRKPZSA-N. The full InChI is InChI=1S/C55H41N/c1-55(2)53-21-9-8-20-51(53)52-33-32-50(37-54(52)55)56(48-28-24-40(25-29-48)44-17-10-16-43(34-44)38-12-4-3-5-13-38)49-30-26-41(27-31-49)45-18-11-19-46(35-45)47-23-22-39-14-6-7-15-42(39)36-47/h3-37H,1-2H3/i24D,25D,26D,27D,28D,29D,30D,31D.

What are the key properties of 9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine?

9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 723.99 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-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 171451946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).