2-naphthalen-1-yl-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]-2-yl-1,3,5-triazine

C46H27N3 — CID 153357769

About 2-naphthalen-1-yl-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]-2-yl-1,3,5-triazine

2-naphthalen-1-yl-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]-2-yl-1,3,5-triazine (PubChem CID 153357769) has the molecular formula C46H27N3 and a molecular weight of 621.74 g/mol. Its IUPAC name is 2-naphthalen-1-yl-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]-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-1-yl-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]-2-yl-1,3,5-triazine
• PubChem CID: 153357769
• Molecular Formula: C46H27N3
• Molecular Weight: 621.74 g/mol
• Exact Mass: 621.22
• IUPAC Name: 2-naphthalen-1-yl-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]-2-yl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4cccc5ccc6cccc3c6c45)nc(-c3cccc4ccccc34)n2)cc1
• InChI: InChI=1S/C46H27N3/c1-2-12-31(13-3-1)43-47-44(49-45(48-43)36-19-8-14-28-11-4-5-17-33(28)36)32-25-26-35-34-18-6-7-20-37(34)46(40(35)27-32)38-21-9-15-29-23-24-30-16-10-22-39(46)42(30)41(29)38/h1-27H
• InChIKey: JJXQPTLNKQLWSK-UHFFFAOYSA-N
• XLogP: 11.01
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.74
LogP ≤ 5	11.01
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-naphthalen-1-yl-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]-2-yl-1,3,5-triazine?

The IUPAC name of 2-naphthalen-1-yl-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]-2-yl-1,3,5-triazine (CID 153357769) is 2-naphthalen-1-yl-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]-2-yl-1,3,5-triazine.

What is the SMILES notation for 2-naphthalen-1-yl-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]-2-yl-1,3,5-triazine?

The canonical SMILES for 2-naphthalen-1-yl-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]-2-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4cccc5ccc6cccc3c6c45)nc(-c3cccc4ccccc34)n2)cc1.

What is the InChIKey of 2-naphthalen-1-yl-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]-2-yl-1,3,5-triazine?

The InChIKey is JJXQPTLNKQLWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3/c1-2-12-31(13-3-1)43-47-44(49-45(48-43)36-19-8-14-28-11-4-5-17-33(28)36)32-25-26-35-34-18-6-7-20-37(34)46(40(35)27-32)38-21-9-15-29-23-24-30-16-10-22-39(46)42(30)41(29)38/h1-27H.

What are the key properties of 2-naphthalen-1-yl-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]-2-yl-1,3,5-triazine?

2-naphthalen-1-yl-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]-2-yl-1,3,5-triazine has a molecular weight of 621.74 g/mol, XLogP of 11.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-1-yl-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]-2-yl-1,3,5-triazine is sourced from PubChem (CID 153357769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).