2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-[4-(5-methyl-5,6-dihydronaphthalen-1-yl)phenyl]phenyl]aniline

C69H57N — CID 170290799

About 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-[4-(5-methyl-5,6-dihydronaphthalen-1-yl)phenyl]phenyl]aniline

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-[4-(5-methyl-5,6-dihydronaphthalen-1-yl)phenyl]phenyl]aniline (PubChem CID 170290799) has the molecular formula C69H57N and a molecular weight of 900.22 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-[4-(5-methyl-5,6-dihydronaphthalen-1-yl)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-[4-(5-methyl-5,6-dihydronaphthalen-1-yl)phenyl]phenyl]aniline
• PubChem CID: 170290799
• Molecular Formula: C69H57N
• Molecular Weight: 900.22 g/mol
• Exact Mass: 899.45
• IUPAC Name: 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-[4-(5-methyl-5,6-dihydronaphthalen-1-yl)phenyl]phenyl]aniline
• SMILES: CC1CC=Cc2c(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7ccccc7)c(-c7ccccc7)c6)cc5)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)cc4)cc3)cccc21
• InChI: InChI=1S/C69H57N/c1-48-17-13-30-64-60(48)27-16-28-61(64)55-35-33-49(34-36-55)50-37-42-58(43-38-50)70(68-32-12-11-26-65(68)66-31-15-25-56-24-14-29-63(69(56)66)53-20-7-3-8-21-53)59-44-39-51(40-45-59)57-41-46-62(52-18-5-2-6-19-52)67(47-57)54-22-9-4-10-23-54/h2,4-6,9-16,18-19,22-48,53H,3,7-8,17,20-21H2,1H3
• InChIKey: CLRFIBXDSJXZBU-UHFFFAOYSA-N
• XLogP: 19.88
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	900.22
LogP ≤ 5	19.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-[4-(5-methyl-5,6-dihydronaphthalen-1-yl)phenyl]phenyl]aniline?

The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-[4-(5-methyl-5,6-dihydronaphthalen-1-yl)phenyl]phenyl]aniline (CID 170290799) is 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-[4-(5-methyl-5,6-dihydronaphthalen-1-yl)phenyl]phenyl]aniline.

What is the SMILES notation for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-[4-(5-methyl-5,6-dihydronaphthalen-1-yl)phenyl]phenyl]aniline?

The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-[4-(5-methyl-5,6-dihydronaphthalen-1-yl)phenyl]phenyl]aniline is CC1CC=Cc2c(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7ccccc7)c(-c7ccccc7)c6)cc5)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)cc4)cc3)cccc21.

What is the InChIKey of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-[4-(5-methyl-5,6-dihydronaphthalen-1-yl)phenyl]phenyl]aniline?

The InChIKey is CLRFIBXDSJXZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H57N/c1-48-17-13-30-64-60(48)27-16-28-61(64)55-35-33-49(34-36-55)50-37-42-58(43-38-50)70(68-32-12-11-26-65(68)66-31-15-25-56-24-14-29-63(69(56)66)53-20-7-3-8-21-53)59-44-39-51(40-45-59)57-41-46-62(52-18-5-2-6-19-52)67(47-57)54-22-9-4-10-23-54/h2,4-6,9-16,18-19,22-48,53H,3,7-8,17,20-21H2,1H3.

What are the key properties of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-[4-(5-methyl-5,6-dihydronaphthalen-1-yl)phenyl]phenyl]aniline?

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-[4-(5-methyl-5,6-dihydronaphthalen-1-yl)phenyl]phenyl]aniline has a molecular weight of 900.22 g/mol, XLogP of 19.88, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-[4-(5-methyl-5,6-dihydronaphthalen-1-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 170290799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).