N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline

C66H44N2 — CID 146508947

About N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline

N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline (PubChem CID 146508947) has the molecular formula C66H44N2 and a molecular weight of 865.09 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline
• PubChem CID: 146508947
• Molecular Formula: C66H44N2
• Molecular Weight: 865.09 g/mol
• Exact Mass: 864.35
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c7ccccc7c7c(c(-c8ccccc8)c8ccccn87)c56)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C66H44N2/c1-3-15-45(16-4-1)46-28-30-47(31-29-46)48-32-38-53(39-33-48)68(54-40-34-50(35-41-54)57-24-13-20-49-17-7-8-21-56(49)57)55-42-36-51(37-43-55)58-25-14-26-60-59-22-9-10-23-61(59)66-65(64(58)60)63(52-18-5-2-6-19-52)62-27-11-12-44-67(62)66/h1-44H
• InChIKey: ZFHGTDNBFGRNFU-UHFFFAOYSA-N
• XLogP: 18.36
• TPSA: 7.65 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.09
LogP ≤ 5	18.36
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-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline (CID 146508947) is N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline.

What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline?

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c7ccccc7c7c(c(-c8ccccc8)c8ccccn87)c56)cc4)cc3)cc2)cc1.

What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline?

The InChIKey is ZFHGTDNBFGRNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2/c1-3-15-45(16-4-1)46-28-30-47(31-29-46)48-32-38-53(39-33-48)68(54-40-34-50(35-41-54)57-24-13-20-49-17-7-8-21-56(49)57)55-42-36-51(37-43-55)58-25-14-26-60-59-22-9-10-23-61(59)66-65(64(58)60)63(52-18-5-2-6-19-52)62-27-11-12-44-67(62)66/h1-44H.

What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline?

N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline has a molecular weight of 865.09 g/mol, XLogP of 18.36, 8 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-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 146508947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).