N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine

C78H52N2 — CID 59194309

About N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine

N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 59194309) has the molecular formula C78H52N2 and a molecular weight of 1017.29 g/mol. Its IUPAC name is N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine
• PubChem CID: 59194309
• Molecular Formula: C78H52N2
• Molecular Weight: 1017.29 g/mol
• Exact Mass: 1016.41
• IUPAC Name: N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine
• SMILES: c1ccc(N(c2cccc(-c3c4ccccc4c(-c4cccc(-c5c6ccccc6c(-c6cccc(N(c7ccccc7)c7cccc8ccccc78)c6)c6ccccc56)c4)c4ccccc34)c2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C78H52N2/c1-3-32-59(33-4-1)79(73-48-22-26-53-24-7-9-38-63(53)73)61-36-20-30-57(51-61)77-69-44-15-11-40-65(69)75(66-41-12-16-45-70(66)77)55-28-19-29-56(50-55)76-67-42-13-17-46-71(67)78(72-47-18-14-43-68(72)76)58-31-21-37-62(52-58)80(60-34-5-2-6-35-60)74-49-23-27-54-25-8-10-39-64(54)74/h1-52H
• InChIKey: KOYDPTOVPYGJGO-UHFFFAOYSA-N
• XLogP: 22.21
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1017.29
LogP ≤ 5	22.21
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-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine?

The IUPAC name of N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 59194309) is N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine.

What is the SMILES notation for N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine?

The canonical SMILES for N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2cccc(-c3c4ccccc4c(-c4cccc(-c5c6ccccc6c(-c6cccc(N(c7ccccc7)c7cccc8ccccc78)c6)c6ccccc56)c4)c4ccccc34)c2)c2cccc3ccccc23)cc1.

What is the InChIKey of N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine?

The InChIKey is KOYDPTOVPYGJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N2/c1-3-32-59(33-4-1)79(73-48-22-26-53-24-7-9-38-63(53)73)61-36-20-30-57(51-61)77-69-44-15-11-40-65(69)75(66-41-12-16-45-70(66)77)55-28-19-29-56(50-55)76-67-42-13-17-46-71(67)78(72-47-18-14-43-68(72)76)58-31-21-37-62(52-58)80(60-34-5-2-6-35-60)74-49-23-27-54-25-8-10-39-64(54)74/h1-52H.

What are the key properties of N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine?

N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 1017.29 g/mol, XLogP of 22.21, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 59194309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).