5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine

C59H45N — CID 170538650

About 5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine

5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine (PubChem CID 170538650) has the molecular formula C59H45N and a molecular weight of 768.02 g/mol. Its IUPAC name is 5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
• PubChem CID: 170538650
• Molecular Formula: C59H45N
• Molecular Weight: 768.02 g/mol
• Exact Mass: 767.36
• IUPAC Name: 5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4CCCC5)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)cc2)cc1
• InChI: InChI=1S/C59H45N/c1-5-17-42(18-6-1)43-31-35-49(36-32-43)60(50-37-33-46(34-38-50)53-28-15-22-44-21-13-14-27-52(44)53)51-39-40-55-57(41-51)59(47-23-9-3-10-24-47,48-25-11-4-12-26-48)56-30-16-29-54(58(55)56)45-19-7-2-8-20-45/h1-12,15-20,22-26,28-41H,13-14,21,27H2
• InChIKey: XAMYNJLGDVEIEP-UHFFFAOYSA-N
• XLogP: 15.40
• 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	768.02
LogP ≤ 5	15.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?

The IUPAC name of 5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine (CID 170538650) is 5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for 5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?

The canonical SMILES for 5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4CCCC5)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)cc2)cc1.

What is the InChIKey of 5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?

The InChIKey is XAMYNJLGDVEIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45N/c1-5-17-42(18-6-1)43-31-35-49(36-32-43)60(50-37-33-46(34-38-50)53-28-15-22-44-21-13-14-27-52(44)53)51-39-40-55-57(41-51)59(47-23-9-3-10-24-47,48-25-11-4-12-26-48)56-30-16-29-54(58(55)56)45-19-7-2-8-20-45/h1-12,15-20,22-26,28-41H,13-14,21,27H2.

What are the key properties of 5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?

5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine has a molecular weight of 768.02 g/mol, XLogP of 15.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170538650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).