N-[4-(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C54H36N2 — CID 90148408

About N-[4-(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 90148408) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is N-[4-(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• PubChem CID: 90148408
• Molecular Formula: C54H36N2
• Molecular Weight: 712.90 g/mol
• Exact Mass: 712.29
• IUPAC Name: N-[4-(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6c4ccc4cccc(c46)n5-c4ccc5ccccc5c4)cc3)cc2)cc1
• InChI: InChI=1S/C54H36N2/c1-3-10-37(11-4-1)40-18-26-45(27-19-40)55(46-28-20-41(21-29-46)38-12-5-2-6-13-38)47-30-23-42(24-31-47)49-34-35-52-54-50(49)33-25-43-16-9-17-51(53(43)54)56(52)48-32-22-39-14-7-8-15-44(39)36-48/h1-36H
• InChIKey: GKXMYOPOFQWMDM-UHFFFAOYSA-N
• XLogP: 15.00
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.90
LogP ≤ 5	15.00
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-(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The IUPAC name of N-[4-(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 90148408) is N-[4-(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

What is the SMILES notation for N-[4-(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The canonical SMILES for N-[4-(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6c4ccc4cccc(c46)n5-c4ccc5ccccc5c4)cc3)cc2)cc1.

What is the InChIKey of N-[4-(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The InChIKey is GKXMYOPOFQWMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-3-10-37(11-4-1)40-18-26-45(27-19-40)55(46-28-20-41(21-29-46)38-12-5-2-6-13-38)47-30-23-42(24-31-47)49-34-35-52-54-50(49)33-25-43-16-9-17-51(53(43)54)56(52)48-32-22-39-14-7-8-15-44(39)36-48/h1-36H.

What are the key properties of N-[4-(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

N-[4-(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 712.90 g/mol, XLogP of 15.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 90148408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).