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

C65H45N — CID 171452588

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

N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 171452588) has the molecular formula C65H45N and a molecular weight of 844.11 g/mol. Its IUPAC name is N-[4-(3-naphthalen-2-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-2-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
• PubChem CID: 171452588
• Molecular Formula: C65H45N
• Molecular Weight: 844.11 g/mol
• Exact Mass: 843.38
• IUPAC Name: N-[4-(3-naphthalen-2-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(-c4ccc5ccccc5c4)c3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C65H45N/c1-4-16-46(17-5-1)51-20-14-21-52(42-51)48-32-36-58(37-33-48)66(59-38-34-49(35-39-59)53-22-15-23-54(43-53)55-31-30-47-18-10-11-19-50(47)44-55)60-40-41-62-61-28-12-13-29-63(61)65(64(62)45-60,56-24-6-2-7-25-56)57-26-8-3-9-27-57/h1-45H/i32D,33D,36D,37D
• InChIKey: YZICYZXQCLAPID-RUTMPTCYSA-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-2-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-2-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine (CID 171452588) is N-[4-(3-naphthalen-2-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-2-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-2-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(-c4ccc5ccccc5c4)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-2-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine?

The InChIKey is YZICYZXQCLAPID-RUTMPTCYSA-N. The full InChI is InChI=1S/C65H45N/c1-4-16-46(17-5-1)51-20-14-21-52(42-51)48-32-36-58(37-33-48)66(59-38-34-49(35-39-59)53-22-15-23-54(43-53)55-31-30-47-18-10-11-19-50(47)44-55)60-40-41-62-61-28-12-13-29-63(61)65(64(62)45-60,56-24-6-2-7-25-56)57-26-8-3-9-27-57/h1-45H/i32D,33D,36D,37D.

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

N-[4-(3-naphthalen-2-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-2-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 171452588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).