4-phenyl-N-[4-(18-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline

C56H37NO — CID 171433284

About 4-phenyl-N-[4-(18-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-(18-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 171433284) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is 4-phenyl-N-[4-(18-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 4-phenyl-N-[4-(18-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline
• PubChem CID: 171433284
• Molecular Formula: C56H37NO
• Molecular Weight: 739.92 g/mol
• Exact Mass: 739.29
• IUPAC Name: 4-phenyl-N-[4-(18-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c(-c5ccccc5)ccc5c4oc4c6ccccc6c6ccccc6c54)cc3)cc2)cc1
• InChI: InChI=1S/C56H37NO/c1-4-14-38(15-5-1)40-24-30-44(31-25-40)57(45-32-26-41(27-33-45)39-16-6-2-7-17-39)46-34-28-43(29-35-46)53-47(42-18-8-3-9-19-42)36-37-52-54-50-22-12-10-20-48(50)49-21-11-13-23-51(49)55(54)58-56(52)53/h1-37H
• InChIKey: HLMIUORNMBANHX-UHFFFAOYSA-N
• XLogP: 16.03
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.92
LogP ≤ 5	16.03
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 4-phenyl-N-[4-(18-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline?

The IUPAC name of 4-phenyl-N-[4-(18-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 171433284) is 4-phenyl-N-[4-(18-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline.

What is the SMILES notation for 4-phenyl-N-[4-(18-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline?

The canonical SMILES for 4-phenyl-N-[4-(18-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c(-c5ccccc5)ccc5c4oc4c6ccccc6c6ccccc6c54)cc3)cc2)cc1.

What is the InChIKey of 4-phenyl-N-[4-(18-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline?

The InChIKey is HLMIUORNMBANHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-4-14-38(15-5-1)40-24-30-44(31-25-40)57(45-32-26-41(27-33-45)39-16-6-2-7-17-39)46-34-28-43(29-35-46)53-47(42-18-8-3-9-19-42)36-37-52-54-50-22-12-10-20-48(50)49-21-11-13-23-51(49)55(54)58-56(52)53/h1-37H.

What are the key properties of 4-phenyl-N-[4-(18-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline?

4-phenyl-N-[4-(18-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 739.92 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-N-[4-(18-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 171433284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).