4-(7-phenylnaphthalen-2-yl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[4-[7-(4-tritylphenyl)naphthalen-2-yl]phenyl]aniline

C85H59N — CID 58132060

About 4-(7-phenylnaphthalen-2-yl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[4-[7-(4-tritylphenyl)naphthalen-2-yl]phenyl]aniline

4-(7-phenylnaphthalen-2-yl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[4-[7-(4-tritylphenyl)naphthalen-2-yl]phenyl]aniline (PubChem CID 58132060) has the molecular formula C85H59N and a molecular weight of 1094.41 g/mol. Its IUPAC name is 4-(7-phenylnaphthalen-2-yl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[4-[7-(4-tritylphenyl)naphthalen-2-yl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-(7-phenylnaphthalen-2-yl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[4-[7-(4-tritylphenyl)naphthalen-2-yl]phenyl]aniline
• PubChem CID: 58132060
• Molecular Formula: C85H59N
• Molecular Weight: 1094.41 g/mol
• Exact Mass: 1093.46
• IUPAC Name: 4-(7-phenylnaphthalen-2-yl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[4-[7-(4-tritylphenyl)naphthalen-2-yl]phenyl]aniline
• SMILES: c1ccc(-c2ccc3ccc(-c4ccc(N(c5ccc(-c6ccc7ccc(-c8ccccc8)cc7c6)cc5)c5ccc(-c6ccc7ccc(-c8ccc(C(c9ccccc9)(c9ccccc9)c9ccccc9)cc8)cc7c6)cc5)cc4)cc3c2)cc1
• InChI: InChI=1S/C85H59N/c1-6-16-60(17-7-1)69-32-26-66-29-35-72(57-75(66)54-69)63-40-48-82(49-41-63)86(83-50-42-64(43-51-83)73-36-30-67-27-33-70(55-76(67)58-73)61-18-8-2-9-19-61)84-52-44-65(45-53-84)74-37-31-68-28-34-71(56-77(68)59-74)62-38-46-81(47-39-62)85(78-20-10-3-11-21-78,79-22-12-4-13-23-79)80-24-14-5-15-25-80/h1-59H
• InChIKey: NETHFSJSNIHCIN-UHFFFAOYSA-N
• XLogP: 23.00
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 13
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1094.41
LogP ≤ 5	23.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(7-phenylnaphthalen-2-yl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[4-[7-(4-tritylphenyl)naphthalen-2-yl]phenyl]aniline?

The IUPAC name of 4-(7-phenylnaphthalen-2-yl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[4-[7-(4-tritylphenyl)naphthalen-2-yl]phenyl]aniline (CID 58132060) is 4-(7-phenylnaphthalen-2-yl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[4-[7-(4-tritylphenyl)naphthalen-2-yl]phenyl]aniline.

What is the SMILES notation for 4-(7-phenylnaphthalen-2-yl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[4-[7-(4-tritylphenyl)naphthalen-2-yl]phenyl]aniline?

The canonical SMILES for 4-(7-phenylnaphthalen-2-yl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[4-[7-(4-tritylphenyl)naphthalen-2-yl]phenyl]aniline is c1ccc(-c2ccc3ccc(-c4ccc(N(c5ccc(-c6ccc7ccc(-c8ccccc8)cc7c6)cc5)c5ccc(-c6ccc7ccc(-c8ccc(C(c9ccccc9)(c9ccccc9)c9ccccc9)cc8)cc7c6)cc5)cc4)cc3c2)cc1.

What is the InChIKey of 4-(7-phenylnaphthalen-2-yl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[4-[7-(4-tritylphenyl)naphthalen-2-yl]phenyl]aniline?

The InChIKey is NETHFSJSNIHCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H59N/c1-6-16-60(17-7-1)69-32-26-66-29-35-72(57-75(66)54-69)63-40-48-82(49-41-63)86(83-50-42-64(43-51-83)73-36-30-67-27-33-70(55-76(67)58-73)61-18-8-2-9-19-61)84-52-44-65(45-53-84)74-37-31-68-28-34-71(56-77(68)59-74)62-38-46-81(47-39-62)85(78-20-10-3-11-21-78,79-22-12-4-13-23-79)80-24-14-5-15-25-80/h1-59H.

What are the key properties of 4-(7-phenylnaphthalen-2-yl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[4-[7-(4-tritylphenyl)naphthalen-2-yl]phenyl]aniline?

4-(7-phenylnaphthalen-2-yl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[4-[7-(4-tritylphenyl)naphthalen-2-yl]phenyl]aniline has a molecular weight of 1094.41 g/mol, XLogP of 23.00, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-phenylnaphthalen-2-yl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[4-[7-(4-tritylphenyl)naphthalen-2-yl]phenyl]aniline is sourced from PubChem (CID 58132060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).