N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline

C102H68N2 — CID 155305413

About N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline

N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline (PubChem CID 155305413) has the molecular formula C102H68N2 and a molecular weight of 1321.68 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline
• PubChem CID: 155305413
• Molecular Formula: C102H68N2
• Molecular Weight: 1321.68 g/mol
• Exact Mass: 1320.54
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4c(-c5cccc(-c6ccc(N(c7ccc(-c8ccc9ccccc9c8)cc7)c7ccc(-c8c(-c9ccccc9)c9ccccc9c9ccccc89)cc7)cc6)c5)c5ccccc5c5ccccc45)cc3)cc2)cc1
• InChI: InChI=1S/C102H68N2/c1-3-21-69(22-4-1)71-43-55-83(56-44-71)104(86-61-49-75(50-62-86)90-40-20-28-74-24-9-10-31-89(74)90)88-65-53-78(54-66-88)101-97-38-17-13-34-93(97)94-35-14-18-39-98(94)102(101)82-30-19-29-80(68-82)72-45-57-84(58-46-72)103(85-59-47-73(48-60-85)81-42-41-70-23-7-8-27-79(70)67-81)87-63-51-77(52-64-87)100-96-37-16-12-33-92(96)91-32-11-15-36-95(91)99(100)76-25-5-2-6-26-76/h1-68H
• InChIKey: WFGQCHDFPNKXOE-UHFFFAOYSA-N
• XLogP: 28.88
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1321.68
LogP ≤ 5	28.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline (CID 155305413) is N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline.

What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline?

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4c(-c5cccc(-c6ccc(N(c7ccc(-c8ccc9ccccc9c8)cc7)c7ccc(-c8c(-c9ccccc9)c9ccccc9c9ccccc89)cc7)cc6)c5)c5ccccc5c5ccccc45)cc3)cc2)cc1.

What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline?

The InChIKey is WFGQCHDFPNKXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H68N2/c1-3-21-69(22-4-1)71-43-55-83(56-44-71)104(86-61-49-75(50-62-86)90-40-20-28-74-24-9-10-31-89(74)90)88-65-53-78(54-66-88)101-97-38-17-13-34-93(97)94-35-14-18-39-98(94)102(101)82-30-19-29-80(68-82)72-45-57-84(58-46-72)103(85-59-47-73(48-60-85)81-42-41-70-23-7-8-27-79(70)67-81)87-63-51-77(52-64-87)100-96-37-16-12-33-92(96)91-32-11-15-36-95(91)99(100)76-25-5-2-6-26-76/h1-68H.

What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline?

N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline has a molecular weight of 1321.68 g/mol, XLogP of 28.88, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline is sourced from PubChem (CID 155305413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).