N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline

C82H56N2 — CID 59194316

About N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline

N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline (PubChem CID 59194316) has the molecular formula C82H56N2 and a molecular weight of 1069.36 g/mol. Its IUPAC name is N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline.

Molecular Properties

• Compound Name: N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline
• PubChem CID: 59194316
• Molecular Formula: C82H56N2
• Molecular Weight: 1069.36 g/mol
• Exact Mass: 1068.44
• IUPAC Name: N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline
• SMILES: c1ccc(-c2cccc(N(c3ccccc3)c3cccc(-c4c5ccccc5c(-c5cccc(-c6c7ccccc7c(-c7cccc(N(c8ccccc8)c8cccc(-c9ccccc9)c8)c7)c7ccccc67)c5)c5ccccc45)c3)c2)cc1
• InChI: InChI=1S/C82H56N2/c1-5-26-57(27-6-1)59-30-22-40-67(53-59)83(65-36-9-3-10-37-65)69-42-24-34-63(55-69)81-75-48-17-13-44-71(75)79(72-45-14-18-49-76(72)81)61-32-21-33-62(52-61)80-73-46-15-19-50-77(73)82(78-51-20-16-47-74(78)80)64-35-25-43-70(56-64)84(66-38-11-4-12-39-66)68-41-23-31-60(54-68)58-28-7-2-8-29-58/h1-56H
• InChIKey: CWHJNVLZIMFKQD-UHFFFAOYSA-N
• XLogP: 23.24
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1069.36
LogP ≤ 5	23.24
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-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline?

The IUPAC name of N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline (CID 59194316) is N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline.

What is the SMILES notation for N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline?

The canonical SMILES for N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline is c1ccc(-c2cccc(N(c3ccccc3)c3cccc(-c4c5ccccc5c(-c5cccc(-c6c7ccccc7c(-c7cccc(N(c8ccccc8)c8cccc(-c9ccccc9)c8)c7)c7ccccc67)c5)c5ccccc45)c3)c2)cc1.

What is the InChIKey of N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline?

The InChIKey is CWHJNVLZIMFKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56N2/c1-5-26-57(27-6-1)59-30-22-40-67(53-59)83(65-36-9-3-10-37-65)69-42-24-34-63(55-69)81-75-48-17-13-44-71(75)79(72-45-14-18-49-76(72)81)61-32-21-33-62(52-61)80-73-46-15-19-50-77(73)82(78-51-20-16-47-74(78)80)64-35-25-43-70(56-64)84(66-38-11-4-12-39-66)68-41-23-31-60(54-68)58-28-7-2-8-29-58/h1-56H.

What are the key properties of N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline?

N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline has a molecular weight of 1069.36 g/mol, XLogP of 23.24, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline is sourced from PubChem (CID 59194316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).