2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine

C67H42N6O — CID 149001752

About 2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine

2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 149001752) has the molecular formula C67H42N6O and a molecular weight of 947.11 g/mol. Its IUPAC name is 2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 149001752
• Molecular Formula: C67H42N6O
• Molecular Weight: 947.11 g/mol
• Exact Mass: 946.34
• IUPAC Name: 2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)-c4cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c4C54c5ccccc5Oc5ccccc54)n3)cc2)cc1
• InChI: InChI=1S/C67H42N6O/c1-5-18-43(19-6-1)45-32-36-49(37-33-45)63-69-64(50-38-34-46(35-39-50)44-20-7-2-8-21-44)71-65(70-63)51-40-41-55-54(42-51)52-26-17-27-53(60(52)67(55)56-28-13-15-30-58(56)74-59-31-16-14-29-57(59)67)66-72-61(47-22-9-3-10-23-47)68-62(73-66)48-24-11-4-12-25-48/h1-42H
• InChIKey: PZUFTZGHVIGCEO-UHFFFAOYSA-N
• XLogP: 15.86
• TPSA: 86.57 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.11
LogP ≤ 5	15.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 149001752) is 2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)-c4cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c4C54c5ccccc5Oc5ccccc54)n3)cc2)cc1.

What is the InChIKey of 2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is PZUFTZGHVIGCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N6O/c1-5-18-43(19-6-1)45-32-36-49(37-33-45)63-69-64(50-38-34-46(35-39-50)44-20-7-2-8-21-44)71-65(70-63)51-40-41-55-54(42-51)52-26-17-27-53(60(52)67(55)56-28-13-15-30-58(56)74-59-31-16-14-29-57(59)67)66-72-61(47-22-9-3-10-23-47)68-62(73-66)48-24-11-4-12-25-48/h1-42H.

What are the key properties of 2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine?

2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 947.11 g/mol, XLogP of 15.86, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 149001752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).