N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine

C72H48N2 — CID 58362096

About N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine

N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine (PubChem CID 58362096) has the molecular formula C72H48N2 and a molecular weight of 941.19 g/mol. Its IUPAC name is N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine.

Molecular Properties

• Compound Name: N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
• PubChem CID: 58362096
• Molecular Formula: C72H48N2
• Molecular Weight: 941.19 g/mol
• Exact Mass: 940.38
• IUPAC Name: N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c8ccccc8c8ccccc8c7c6)cc5)cc4)c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc2)cc1
• InChI: InChI=1S/C72H48N2/c1-3-15-49(16-4-1)50-27-29-51(30-28-50)52-31-39-57(40-32-52)74(60-44-46-70-66-24-10-8-20-62(66)64-22-12-14-26-68(64)72(70)48-60)58-41-35-54(36-42-58)53-33-37-56(38-34-53)73(55-17-5-2-6-18-55)59-43-45-69-65-23-9-7-19-61(65)63-21-11-13-25-67(63)71(69)47-59/h1-48H
• InChIKey: JJXRVPATZQRTDC-UHFFFAOYSA-N
• XLogP: 20.55
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.19
LogP ≤ 5	20.55
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-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine?

The IUPAC name of N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine (CID 58362096) is N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine.

What is the SMILES notation for N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine?

The canonical SMILES for N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c8ccccc8c8ccccc8c7c6)cc5)cc4)c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc2)cc1.

What is the InChIKey of N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine?

The InChIKey is JJXRVPATZQRTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2/c1-3-15-49(16-4-1)50-27-29-51(30-28-50)52-31-39-57(40-32-52)74(60-44-46-70-66-24-10-8-20-62(66)64-22-12-14-26-68(64)72(70)48-60)58-41-35-54(36-42-58)53-33-37-56(38-34-53)73(55-17-5-2-6-18-55)59-43-45-69-65-23-9-7-19-61(65)63-21-11-13-25-67(63)71(69)47-59/h1-48H.

What are the key properties of N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine?

N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine has a molecular weight of 941.19 g/mol, XLogP of 20.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine is sourced from PubChem (CID 58362096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).