7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline

C55H34N4O — CID 164793113

About 7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline

7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline (PubChem CID 164793113) has the molecular formula C55H34N4O and a molecular weight of 766.90 g/mol. Its IUPAC name is 7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline.

Molecular Properties

• Compound Name: 7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
• PubChem CID: 164793113
• Molecular Formula: C55H34N4O
• Molecular Weight: 766.90 g/mol
• Exact Mass: 766.27
• IUPAC Name: 7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)Oc4cc(-c6ccc7cccnc7c6)ccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1
• InChI: InChI=1S/C55H34N4O/c1-3-13-35(14-4-1)38-17-11-18-41(31-38)53-57-52(37-15-5-2-6-16-37)58-54(59-53)42-27-29-48-51(34-42)60-50-33-40(39-25-24-36-19-12-30-56-49(36)32-39)26-28-47(50)55(48)45-22-9-7-20-43(45)44-21-8-10-23-46(44)55/h1-34H
• InChIKey: UKIGMAGXPQYGSH-UHFFFAOYSA-N
• XLogP: 13.22
• TPSA: 60.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.90
LogP ≤ 5	13.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline?

The IUPAC name of 7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline (CID 164793113) is 7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline.

What is the SMILES notation for 7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline?

The canonical SMILES for 7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)Oc4cc(-c6ccc7cccnc7c6)ccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1.

What is the InChIKey of 7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline?

The InChIKey is UKIGMAGXPQYGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4O/c1-3-13-35(14-4-1)38-17-11-18-41(31-38)53-57-52(37-15-5-2-6-16-37)58-54(59-53)42-27-29-48-51(34-42)60-50-33-40(39-25-24-36-19-12-30-56-49(36)32-39)26-28-47(50)55(48)45-22-9-7-20-43(45)44-21-8-10-23-46(44)55/h1-34H.

What are the key properties of 7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline?

7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline has a molecular weight of 766.90 g/mol, XLogP of 13.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline is sourced from PubChem (CID 164793113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).