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

C56H50N2 — CID 171735947

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

4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline (PubChem CID 171735947) has the molecular formula C56H50N2 and a molecular weight of 751.03 g/mol. Its IUPAC name is 4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
• PubChem CID: 171735947
• Molecular Formula: C56H50N2
• Molecular Weight: 751.03 g/mol
• Exact Mass: 750.40
• IUPAC Name: 4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-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(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)ccc21
• InChI: InChI=1S/C56H50N2/c1-55(2)38-39-56(3,4)54-40-46(28-37-53(54)55)45-26-35-52(36-27-45)58(50-29-20-42(21-30-50)41-14-8-5-9-15-41)51-33-24-44(25-34-51)43-22-31-49(32-23-43)57(47-16-10-6-11-17-47)48-18-12-7-13-19-48/h5-37,40H,38-39H2,1-4H3
• InChIKey: XTQYHKUZPPCQDW-UHFFFAOYSA-N
• XLogP: 15.98
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.03
LogP ≤ 5	15.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline (CID 171735947) is 4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline.

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

The canonical SMILES for 4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-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(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)ccc21.

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

The InChIKey is XTQYHKUZPPCQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50N2/c1-55(2)38-39-56(3,4)54-40-46(28-37-53(54)55)45-26-35-52(36-27-45)58(50-29-20-42(21-30-50)41-14-8-5-9-15-41)51-33-24-44(25-34-51)43-22-31-49(32-23-43)57(47-16-10-6-11-17-47)48-18-12-7-13-19-48/h5-37,40H,38-39H2,1-4H3.

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

4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline has a molecular weight of 751.03 g/mol, XLogP of 15.98, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline is sourced from PubChem (CID 171735947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).