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

C49H30N4O — CID 140947355

IUPAC8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5cccnc45)cc3)nc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C49H30N4O/c1-2-13-33(14-3-1)46-51-47(34-28-26-31(27-29-34)35-19-10-15-32-16-12-30-50-44(32)35)53-48(52-46)38-20-11-24-42-45(38)54-43-25-9-8-23-41(43)49(42)39-21-6-4-17-36(39)37-18-5-7-22-40(37)49/h1-30H
InChIKeyMSYRTEZAGDEZTM-UHFFFAOYSA-N
MW690.81 g/mol
LogP11.56
Rot. Bonds4

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

8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]quinoline (PubChem CID 140947355) has the molecular formula C49H30N4O and a molecular weight of 690.81 g/mol. Its IUPAC name is 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]quinoline.

Molecular Properties

Compound Name8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]quinoline
PubChem CID140947355
Molecular FormulaC49H30N4O
Molecular Weight690.81 g/mol
Exact Mass690.24
IUPAC Name8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5cccnc45)cc3)nc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C49H30N4O/c1-2-13-33(14-3-1)46-51-47(34-28-26-31(27-29-34)35-19-10-15-32-16-12-30-50-44(32)35)53-48(52-46)38-20-11-24-42-45(38)54-43-25-9-8-23-41(43)49(42)39-21-6-4-17-36(39)37-18-5-7-22-40(37)49/h1-30H
InChIKeyMSYRTEZAGDEZTM-UHFFFAOYSA-N
XLogP11.56
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.81
LogP ≤ 511.56
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-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]quinoline?
The IUPAC name of 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]quinoline (CID 140947355) is 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]quinoline.
What is the SMILES notation for 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]quinoline?
The canonical SMILES for 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]quinoline is c1ccc(-c2nc(-c3ccc(-c4cccc5cccnc45)cc3)nc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]quinoline?
The InChIKey is MSYRTEZAGDEZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4O/c1-2-13-33(14-3-1)46-51-47(34-28-26-31(27-29-34)35-19-10-15-32-16-12-30-50-44(32)35)53-48(52-46)38-20-11-24-42-45(38)54-43-25-9-8-23-41(43)49(42)39-21-6-4-17-36(39)37-18-5-7-22-40(37)49/h1-30H.
What are the key properties of 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]quinoline?
8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]quinoline has a molecular weight of 690.81 g/mol, XLogP of 11.56, 4 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-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]quinoline is sourced from PubChem (CID 140947355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).