2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazine

C54H33N3 — CID 153357827

About 2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazine

2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazine (PubChem CID 153357827) has the molecular formula C54H33N3 and a molecular weight of 723.88 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazine
• PubChem CID: 153357827
• Molecular Formula: C54H33N3
• Molecular Weight: 723.88 g/mol
• Exact Mass: 723.27
• IUPAC Name: 2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)-c4ccccc4C54c5cccc6ccc7cccc4c7c56)n3)c2)cc1
• InChI: InChI=1S/C54H33N3/c1-4-14-34(15-5-1)40-30-41(35-16-6-2-7-17-35)32-42(31-40)53-56-51(38-18-8-3-9-19-38)55-52(57-53)39-28-29-46-44(33-39)43-22-10-11-23-45(43)54(46)47-24-12-20-36-26-27-37-21-13-25-48(54)50(37)49(36)47/h1-33H
• InChIKey: HEUPQESSMOMEEO-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.88
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazine (CID 153357827) is 2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazine.

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

The canonical SMILES for 2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)-c4ccccc4C54c5cccc6ccc7cccc4c7c56)n3)c2)cc1.

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

The InChIKey is HEUPQESSMOMEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3/c1-4-14-34(15-5-1)40-30-41(35-16-6-2-7-17-35)32-42(31-40)53-56-51(38-18-8-3-9-19-38)55-52(57-53)39-28-29-46-44(33-39)43-22-10-11-23-45(43)54(46)47-24-12-20-36-26-27-37-21-13-25-48(54)50(37)49(36)47/h1-33H.

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

2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazine has a molecular weight of 723.88 g/mol, XLogP of 13.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazine is sourced from PubChem (CID 153357827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).