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

C65H45N — CID 171452406

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

N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 171452406) has the molecular formula C65H45N and a molecular weight of 844.11 g/mol. Its IUPAC name is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
• PubChem CID: 171452406
• Molecular Formula: C65H45N
• Molecular Weight: 844.11 g/mol
• Exact Mass: 843.38
• IUPAC Name: N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
• SMILES: [2H]c1c([2H])c(N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C65H45N/c1-4-17-46(18-5-1)50-21-14-22-51(43-50)47-33-37-56(38-34-47)66(57-39-35-48(36-40-57)52-23-15-24-53(44-52)60-31-16-20-49-19-10-11-29-59(49)60)58-41-42-62-61-30-12-13-32-63(61)65(64(62)45-58,54-25-6-2-7-26-54)55-27-8-3-9-28-55/h1-45H/i33D,34D,37D,38D
• InChIKey: ARHQLYLAOAFJNS-GEBLEHJMSA-N
• XLogP: 17.34
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.11
LogP ≤ 5	17.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine (CID 171452406) is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine.

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

The canonical SMILES for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine is [2H]c1c([2H])c(N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1.

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

The InChIKey is ARHQLYLAOAFJNS-GEBLEHJMSA-N. The full InChI is InChI=1S/C65H45N/c1-4-17-46(18-5-1)50-21-14-22-51(43-50)47-33-37-56(38-34-47)66(57-39-35-48(36-40-57)52-23-15-24-53(44-52)60-31-16-20-49-19-10-11-29-59(49)60)58-41-42-62-61-30-12-13-32-63(61)65(64(62)45-58,54-25-6-2-7-26-54)55-27-8-3-9-28-55/h1-45H/i33D,34D,37D,38D.

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

N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 844.11 g/mol, XLogP of 17.34, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 171452406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).