N-phenyl-N-[3-[3-[8-[3-[4-phenyl-1-(4-phenylphenyl)butan-2-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]naphthalen-2-amine

C66H51N — CID 170092656

About N-phenyl-N-[3-[3-[8-[3-[4-phenyl-1-(4-phenylphenyl)butan-2-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]naphthalen-2-amine

N-phenyl-N-[3-[3-[8-[3-[4-phenyl-1-(4-phenylphenyl)butan-2-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]naphthalen-2-amine (PubChem CID 170092656) has the molecular formula C66H51N and a molecular weight of 858.14 g/mol. Its IUPAC name is N-phenyl-N-[3-[3-[8-[3-[4-phenyl-1-(4-phenylphenyl)butan-2-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]naphthalen-2-amine.

Molecular Properties

• Compound Name: N-phenyl-N-[3-[3-[8-[3-[4-phenyl-1-(4-phenylphenyl)butan-2-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]naphthalen-2-amine
• PubChem CID: 170092656
• Molecular Formula: C66H51N
• Molecular Weight: 858.14 g/mol
• Exact Mass: 857.40
• IUPAC Name: N-phenyl-N-[3-[3-[8-[3-[4-phenyl-1-(4-phenylphenyl)butan-2-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]naphthalen-2-amine
• SMILES: c1ccc(CCC(Cc2ccc(-c3ccccc3)cc2)c2cccc(-c3cccc4cccc(-c5cccc(-c6cccc(N(c7ccccc7)c7ccc8ccccc8c7)c6)c5)c34)c2)cc1
• InChI: InChI=1S/C66H51N/c1-4-17-48(18-5-1)35-40-58(43-49-36-38-52(39-37-49)50-19-6-2-7-20-50)55-26-13-29-60(45-55)65-34-16-24-53-23-15-33-64(66(53)65)59-28-12-25-54(44-59)57-27-14-32-62(47-57)67(61-30-8-3-9-31-61)63-42-41-51-21-10-11-22-56(51)46-63/h1-34,36-39,41-42,44-47,58H,35,40,43H2
• InChIKey: JQWKKSRJAPUELE-UHFFFAOYSA-N
• XLogP: 18.09
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 13
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	858.14
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-[3-[8-[3-[4-phenyl-1-(4-phenylphenyl)butan-2-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]naphthalen-2-amine?

The IUPAC name of N-phenyl-N-[3-[3-[8-[3-[4-phenyl-1-(4-phenylphenyl)butan-2-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]naphthalen-2-amine (CID 170092656) is N-phenyl-N-[3-[3-[8-[3-[4-phenyl-1-(4-phenylphenyl)butan-2-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]naphthalen-2-amine.

What is the SMILES notation for N-phenyl-N-[3-[3-[8-[3-[4-phenyl-1-(4-phenylphenyl)butan-2-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]naphthalen-2-amine?

The canonical SMILES for N-phenyl-N-[3-[3-[8-[3-[4-phenyl-1-(4-phenylphenyl)butan-2-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]naphthalen-2-amine is c1ccc(CCC(Cc2ccc(-c3ccccc3)cc2)c2cccc(-c3cccc4cccc(-c5cccc(-c6cccc(N(c7ccccc7)c7ccc8ccccc8c7)c6)c5)c34)c2)cc1.

What is the InChIKey of N-phenyl-N-[3-[3-[8-[3-[4-phenyl-1-(4-phenylphenyl)butan-2-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]naphthalen-2-amine?

The InChIKey is JQWKKSRJAPUELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H51N/c1-4-17-48(18-5-1)35-40-58(43-49-36-38-52(39-37-49)50-19-6-2-7-20-50)55-26-13-29-60(45-55)65-34-16-24-53-23-15-33-64(66(53)65)59-28-12-25-54(44-59)57-27-14-32-62(47-57)67(61-30-8-3-9-31-61)63-42-41-51-21-10-11-22-56(51)46-63/h1-34,36-39,41-42,44-47,58H,35,40,43H2.

What are the key properties of N-phenyl-N-[3-[3-[8-[3-[4-phenyl-1-(4-phenylphenyl)butan-2-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]naphthalen-2-amine?

N-phenyl-N-[3-[3-[8-[3-[4-phenyl-1-(4-phenylphenyl)butan-2-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]naphthalen-2-amine has a molecular weight of 858.14 g/mol, XLogP of 18.09, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[3-[3-[8-[3-[4-phenyl-1-(4-phenylphenyl)butan-2-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 170092656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).