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

C55H34N4O — CID 146546691

IUPAC5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccc(-c6cccc7ncccc67)cc5)ccc3-4)n2)cc1
InChIInChI=1S/C55H34N4O/c1-3-13-37(14-4-1)52-57-53(38-15-5-2-6-16-38)59-54(58-52)40-29-31-43-42-30-28-39(35-24-26-36(27-25-35)41-17-11-21-49-44(41)18-12-32-56-49)33-47(42)55(48(43)34-40)45-19-7-9-22-50(45)60-51-23-10-8-20-46(51)55/h1-34H
InChIKeyJKSBNZRQXNKBCP-UHFFFAOYSA-N
MW766.90 g/mol
LogP13.22
Rot. Bonds5

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

5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline (PubChem CID 146546691) has the molecular formula C55H34N4O and a molecular weight of 766.90 g/mol. Its IUPAC name is 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline
PubChem CID146546691
Molecular FormulaC55H34N4O
Molecular Weight766.90 g/mol
Exact Mass766.27
IUPAC Name5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccc(-c6cccc7ncccc67)cc5)ccc3-4)n2)cc1
InChIInChI=1S/C55H34N4O/c1-3-13-37(14-4-1)52-57-53(38-15-5-2-6-16-38)59-54(58-52)40-29-31-43-42-30-28-39(35-24-26-36(27-25-35)41-17-11-21-49-44(41)18-12-32-56-49)33-47(42)55(48(43)34-40)45-19-7-9-22-50(45)60-51-23-10-8-20-46(51)55/h1-34H
InChIKeyJKSBNZRQXNKBCP-UHFFFAOYSA-N
XLogP13.22
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.90
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline?
The IUPAC name of 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline (CID 146546691) is 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline.
What is the SMILES notation for 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline?
The canonical SMILES for 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccc(-c6cccc7ncccc67)cc5)ccc3-4)n2)cc1.
What is the InChIKey of 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline?
The InChIKey is JKSBNZRQXNKBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4O/c1-3-13-37(14-4-1)52-57-53(38-15-5-2-6-16-38)59-54(58-52)40-29-31-43-42-30-28-39(35-24-26-36(27-25-35)41-17-11-21-49-44(41)18-12-32-56-49)33-47(42)55(48(43)34-40)45-19-7-9-22-50(45)60-51-23-10-8-20-46(51)55/h1-34H.
What are the key properties of 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline?
5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]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 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline is sourced from PubChem (CID 146546691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).