2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline

C50H45N — CID 167260671

About 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline

2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline (PubChem CID 167260671) has the molecular formula C50H45N and a molecular weight of 659.92 g/mol. Its IUPAC name is 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
• PubChem CID: 167260671
• Molecular Formula: C50H45N
• Molecular Weight: 659.92 g/mol
• Exact Mass: 659.36
• IUPAC Name: 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)ccc21
• InChI: InChI=1S/C50H45N/c1-49(2)32-33-50(3,4)47-35-42(24-30-46(47)49)39-22-28-44(29-23-39)51(43-26-20-38(21-27-43)36-14-8-5-9-15-36)48-31-25-41(37-16-10-6-11-17-37)34-45(48)40-18-12-7-13-19-40/h5-31,34-35H,32-33H2,1-4H3
• InChIKey: UHNNSAWKWNGMHK-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.92
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline?

The IUPAC name of 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline (CID 167260671) is 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline.

What is the SMILES notation for 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline?

The canonical SMILES for 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline is CC1(C)CCC(C)(C)c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)ccc21.

What is the InChIKey of 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline?

The InChIKey is UHNNSAWKWNGMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H45N/c1-49(2)32-33-50(3,4)47-35-42(24-30-46(47)49)39-22-28-44(29-23-39)51(43-26-20-38(21-27-43)36-14-8-5-9-15-36)48-31-25-41(37-16-10-6-11-17-37)34-45(48)40-18-12-7-13-19-40/h5-31,34-35H,32-33H2,1-4H3.

What are the key properties of 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline?

2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline has a molecular weight of 659.92 g/mol, XLogP of 14.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline is sourced from PubChem (CID 167260671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).