8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline

C61H38N4O — CID 146547203

About 8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline

8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline (PubChem CID 146547203) has the molecular formula C61H38N4O and a molecular weight of 843.00 g/mol. Its IUPAC name is 8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline.

Molecular Properties

• Compound Name: 8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
• PubChem CID: 146547203
• Molecular Formula: C61H38N4O
• Molecular Weight: 843.00 g/mol
• Exact Mass: 842.30
• IUPAC Name: 8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
• SMILES: c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5Oc5c(-c7cccc8cccnc78)cccc5C65c6ccccc6-c6ccccc65)n4)cc3)cc2)cc1
• InChI: InChI=1S/C61H38N4O/c1-3-15-39(16-4-1)40-30-32-41(33-31-40)42-34-36-45(37-35-42)59-63-58(44-17-5-2-6-18-44)64-60(65-59)50-25-13-29-54-57(50)66-56-49(48-23-11-19-43-20-14-38-62-55(43)48)24-12-28-53(56)61(54)51-26-9-7-21-46(51)47-22-8-10-27-52(47)61/h1-38H
• InChIKey: HRBYYRPOGQDTGO-UHFFFAOYSA-N
• XLogP: 14.89
• TPSA: 60.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.00
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline?

The IUPAC name of 8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline (CID 146547203) is 8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline.

What is the SMILES notation for 8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline?

The canonical SMILES for 8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5Oc5c(-c7cccc8cccnc78)cccc5C65c6ccccc6-c6ccccc65)n4)cc3)cc2)cc1.

What is the InChIKey of 8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline?

The InChIKey is HRBYYRPOGQDTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N4O/c1-3-15-39(16-4-1)40-30-32-41(33-31-40)42-34-36-45(37-35-42)59-63-58(44-17-5-2-6-18-44)64-60(65-59)50-25-13-29-54-57(50)66-56-49(48-23-11-19-43-20-14-38-62-55(43)48)24-12-28-53(56)61(54)51-26-9-7-21-46(51)47-22-8-10-27-52(47)61/h1-38H.

What are the key properties of 8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline?

8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline has a molecular weight of 843.00 g/mol, XLogP of 14.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline is sourced from PubChem (CID 146547203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).