9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-4-amine

C59H41N — CID 171452058

About 9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-4-amine

9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-4-amine (PubChem CID 171452058) has the molecular formula C59H41N and a molecular weight of 772.03 g/mol. Its IUPAC name is 9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-4-amine.

Molecular Properties

• Compound Name: 9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-4-amine
• PubChem CID: 171452058
• Molecular Formula: C59H41N
• Molecular Weight: 772.03 g/mol
• Exact Mass: 771.37
• IUPAC Name: 9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-4-amine
• SMILES: [2H]c1c([2H])c(-c2cccc3ccccc23)c([2H])c(N(c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c2c([2H])c([2H])c(-c3cccc(-c4ccccc4)c3)c([2H])c2[2H])c1[2H]
• InChI: InChI=1S/C59H41N/c1-4-18-42(19-5-1)45-22-14-23-46(40-45)43-36-38-50(39-37-43)60(51-29-15-24-47(41-51)53-32-16-21-44-20-10-11-30-52(44)53)57-35-17-34-56-58(57)54-31-12-13-33-55(54)59(56,48-25-6-2-7-26-48)49-27-8-3-9-28-49/h1-41H/i15D,24D,29D,36D,37D,38D,39D,41D
• InChIKey: YRAFLMMWWBPJNM-IMYASGGKSA-N
• XLogP: 15.67
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.03
LogP ≤ 5	15.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-4-amine?

The IUPAC name of 9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-4-amine (CID 171452058) is 9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-4-amine.

What is the SMILES notation for 9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-4-amine?

The canonical SMILES for 9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-4-amine is [2H]c1c([2H])c(-c2cccc3ccccc23)c([2H])c(N(c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c2c([2H])c([2H])c(-c3cccc(-c4ccccc4)c3)c([2H])c2[2H])c1[2H].

What is the InChIKey of 9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-4-amine?

The InChIKey is YRAFLMMWWBPJNM-IMYASGGKSA-N. The full InChI is InChI=1S/C59H41N/c1-4-18-42(19-5-1)45-22-14-23-46(40-45)43-36-38-50(39-37-43)60(51-29-15-24-47(41-51)53-32-16-21-44-20-10-11-30-52(44)53)57-35-17-34-56-58(57)54-31-12-13-33-55(54)59(56,48-25-6-2-7-26-48)49-27-8-3-9-28-49/h1-41H/i15D,24D,29D,36D,37D,38D,39D,41D.

What are the key properties of 9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-4-amine?

9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-4-amine has a molecular weight of 772.03 g/mol, XLogP of 15.67, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 171452058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).