3-[6-[6-(3,5-diphenylphenyl)naphthalen-2-yl]naphthalen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene

C58H37N — CID 90397305

About 3-[6-[6-(3,5-diphenylphenyl)naphthalen-2-yl]naphthalen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene

3-[6-[6-(3,5-diphenylphenyl)naphthalen-2-yl]naphthalen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (PubChem CID 90397305) has the molecular formula C58H37N and a molecular weight of 747.94 g/mol. Its IUPAC name is 3-[6-[6-(3,5-diphenylphenyl)naphthalen-2-yl]naphthalen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene.

Molecular Properties

• Compound Name: 3-[6-[6-(3,5-diphenylphenyl)naphthalen-2-yl]naphthalen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
• PubChem CID: 90397305
• Molecular Formula: C58H37N
• Molecular Weight: 747.94 g/mol
• Exact Mass: 747.29
• IUPAC Name: 3-[6-[6-(3,5-diphenylphenyl)naphthalen-2-yl]naphthalen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4cc(-c5ccc6cc(-c7cc8ccc9cccc%10c9c8c(c7)n%10-c7ccccc7)ccc6c5)ccc4c3)c2)cc1
• InChI: InChI=1S/C58H37N/c1-4-11-38(12-5-1)50-34-51(39-13-6-2-7-14-39)36-52(35-50)47-26-24-43-29-41(20-22-45(43)31-47)42-21-23-46-32-48(27-25-44(46)30-42)53-33-49-28-19-40-15-10-18-55-57(40)58(49)56(37-53)59(55)54-16-8-3-9-17-54/h1-37H
• InChIKey: TZESJSDXQYYFKD-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.94
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[6-[6-(3,5-diphenylphenyl)naphthalen-2-yl]naphthalen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

The IUPAC name of 3-[6-[6-(3,5-diphenylphenyl)naphthalen-2-yl]naphthalen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (CID 90397305) is 3-[6-[6-(3,5-diphenylphenyl)naphthalen-2-yl]naphthalen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene.

What is the SMILES notation for 3-[6-[6-(3,5-diphenylphenyl)naphthalen-2-yl]naphthalen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

The canonical SMILES for 3-[6-[6-(3,5-diphenylphenyl)naphthalen-2-yl]naphthalen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4cc(-c5ccc6cc(-c7cc8ccc9cccc%10c9c8c(c7)n%10-c7ccccc7)ccc6c5)ccc4c3)c2)cc1.

What is the InChIKey of 3-[6-[6-(3,5-diphenylphenyl)naphthalen-2-yl]naphthalen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

The InChIKey is TZESJSDXQYYFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N/c1-4-11-38(12-5-1)50-34-51(39-13-6-2-7-14-39)36-52(35-50)47-26-24-43-29-41(20-22-45(43)31-47)42-21-23-46-32-48(27-25-44(46)30-42)53-33-49-28-19-40-15-10-18-55-57(40)58(49)56(37-53)59(55)54-16-8-3-9-17-54/h1-37H.

What are the key properties of 3-[6-[6-(3,5-diphenylphenyl)naphthalen-2-yl]naphthalen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

3-[6-[6-(3,5-diphenylphenyl)naphthalen-2-yl]naphthalen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene has a molecular weight of 747.94 g/mol, XLogP of 16.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[6-(3,5-diphenylphenyl)naphthalen-2-yl]naphthalen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene is sourced from PubChem (CID 90397305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).