N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine

C66H44N2 — CID 58758001

About N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine

N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine (PubChem CID 58758001) has the molecular formula C66H44N2 and a molecular weight of 865.09 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine
• PubChem CID: 58758001
• Molecular Formula: C66H44N2
• Molecular Weight: 865.09 g/mol
• Exact Mass: 864.35
• IUPAC Name: N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine
• SMILES: c1ccc2cc(N(c3ccc(-c4c5ccccc5c(-c5ccc(N(c6ccc7ccccc7c6)c6cccc7ccccc67)cc5)c5ccccc45)cc3)c3cccc4ccccc34)ccc2c1
• InChI: InChI=1S/C66H44N2/c1-3-19-51-43-55(41-31-45(51)15-1)67(63-29-13-21-47-17-5-7-23-57(47)63)53-37-33-49(34-38-53)65-59-25-9-11-27-61(59)66(62-28-12-10-26-60(62)65)50-35-39-54(40-36-50)68(56-42-32-46-16-2-4-20-52(46)44-56)64-30-14-22-48-18-6-8-24-58(48)64/h1-44H
• InChIKey: UGKYQPUVARMRHI-UHFFFAOYSA-N
• XLogP: 18.88
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.09
LogP ≤ 5	18.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine?

The IUPAC name of N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine (CID 58758001) is N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine.

What is the SMILES notation for N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine?

The canonical SMILES for N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine is c1ccc2cc(N(c3ccc(-c4c5ccccc5c(-c5ccc(N(c6ccc7ccccc7c6)c6cccc7ccccc67)cc5)c5ccccc45)cc3)c3cccc4ccccc34)ccc2c1.

What is the InChIKey of N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine?

The InChIKey is UGKYQPUVARMRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2/c1-3-19-51-43-55(41-31-45(51)15-1)67(63-29-13-21-47-17-5-7-23-57(47)63)53-37-33-49(34-38-53)65-59-25-9-11-27-61(59)66(62-28-12-10-26-60(62)65)50-35-39-54(40-36-50)68(56-42-32-46-16-2-4-20-52(46)44-56)64-30-14-22-48-18-6-8-24-58(48)64/h1-44H.

What are the key properties of N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine?

N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine has a molecular weight of 865.09 g/mol, XLogP of 18.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 58758001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).