N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C50H33FN2 — CID 90148393

About N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 90148393) has the molecular formula C50H33FN2 and a molecular weight of 680.83 g/mol. Its IUPAC name is N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• PubChem CID: 90148393
• Molecular Formula: C50H33FN2
• Molecular Weight: 680.83 g/mol
• Exact Mass: 680.26
• IUPAC Name: N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• SMILES: Fc1ccc(-n2c3cccc4ccc5cc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6)cc2c5c43)cc1
• InChI: InChI=1S/C50H33FN2/c51-42-22-30-46(31-23-42)53-47-13-7-12-39-14-15-40-32-41(33-48(53)50(40)49(39)47)38-20-28-45(29-21-38)52(43-24-16-36(17-25-43)34-8-3-1-4-9-34)44-26-18-37(19-27-44)35-10-5-2-6-11-35/h1-33H
• InChIKey: VEZYIRLHPDWQAZ-UHFFFAOYSA-N
• XLogP: 13.98
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	680.83
LogP ≤ 5	13.98
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-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The IUPAC name of N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 90148393) is N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

What is the SMILES notation for N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The canonical SMILES for N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is Fc1ccc(-n2c3cccc4ccc5cc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6)cc2c5c43)cc1.

What is the InChIKey of N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The InChIKey is VEZYIRLHPDWQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33FN2/c51-42-22-30-46(31-23-42)53-47-13-7-12-39-14-15-40-32-41(33-48(53)50(40)49(39)47)38-20-28-45(29-21-38)52(43-24-16-36(17-25-43)34-8-3-1-4-9-34)44-26-18-37(19-27-44)35-10-5-2-6-11-35/h1-33H.

What are the key properties of N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 680.83 g/mol, XLogP of 13.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 90148393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).