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

C55H34N4O — CID 137391974

IUPAC8-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5cccnc45)cc3)nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)n2)cc1
InChIInChI=1S/C55H34N4O/c1-2-13-37(14-3-1)52-57-53(38-28-26-35(27-29-38)42-21-11-15-36-18-12-32-56-51(36)42)59-54(58-52)41-17-10-16-39(33-41)40-30-31-50-48(34-40)55(47-24-8-9-25-49(47)60-50)45-22-6-4-19-43(45)44-20-5-7-23-46(44)55/h1-34H
InChIKeyUUBYVGDCUGUUCL-UHFFFAOYSA-N
MW766.90 g/mol
LogP13.22
Rot. Bonds5

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

8-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline (PubChem CID 137391974) has the molecular formula C55H34N4O and a molecular weight of 766.90 g/mol. Its IUPAC name is 8-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
PubChem CID137391974
Molecular FormulaC55H34N4O
Molecular Weight766.90 g/mol
Exact Mass766.27
IUPAC Name8-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5cccnc45)cc3)nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)n2)cc1
InChIInChI=1S/C55H34N4O/c1-2-13-37(14-3-1)52-57-53(38-28-26-35(27-29-38)42-21-11-15-36-18-12-32-56-51(36)42)59-54(58-52)41-17-10-16-39(33-41)40-30-31-50-48(34-40)55(47-24-8-9-25-49(47)60-50)45-22-6-4-19-43(45)44-20-5-7-23-46(44)55/h1-34H
InChIKeyUUBYVGDCUGUUCL-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 8-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The IUPAC name of 8-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline (CID 137391974) is 8-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The canonical SMILES for 8-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline is c1ccc(-c2nc(-c3ccc(-c4cccc5cccnc45)cc3)nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)n2)cc1.
What is the InChIKey of 8-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The InChIKey is UUBYVGDCUGUUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4O/c1-2-13-37(14-3-1)52-57-53(38-28-26-35(27-29-38)42-21-11-15-36-18-12-32-56-51(36)42)59-54(58-52)41-17-10-16-39(33-41)40-30-31-50-48(34-40)55(47-24-8-9-25-49(47)60-50)45-22-6-4-19-43(45)44-20-5-7-23-46(44)55/h1-34H.
What are the key properties of 8-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
8-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-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 8-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline is sourced from PubChem (CID 137391974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).