10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]spiro[acridine-9,9'-xanthene]

C52H33FN4O — CID 153287586

IUPAC10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]spiro[acridine-9,9'-xanthene]
SMILESFc1ccc(N2c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)c(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C52H33FN4O/c53-36-31-32-44(39(33-36)37-21-7-8-22-38(37)51-55-49(34-17-3-1-4-18-34)54-50(56-51)35-19-5-2-6-20-35)57-45-27-13-9-23-40(45)52(41-24-10-14-28-46(41)57)42-25-11-15-29-47(42)58-48-30-16-12-26-43(48)52/h1-33H
InChIKeyMYKLMCIVBINULA-UHFFFAOYSA-N
MW748.86 g/mol
LogP12.95
Rot. Bonds5

About 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]spiro[acridine-9,9'-xanthene]

10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]spiro[acridine-9,9'-xanthene] (PubChem CID 153287586) has the molecular formula C52H33FN4O and a molecular weight of 748.86 g/mol. Its IUPAC name is 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]spiro[acridine-9,9'-xanthene].

Molecular Properties

Compound Name10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]spiro[acridine-9,9'-xanthene]
PubChem CID153287586
Molecular FormulaC52H33FN4O
Molecular Weight748.86 g/mol
Exact Mass748.26
IUPAC Name10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]spiro[acridine-9,9'-xanthene]
SMILESFc1ccc(N2c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)c(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C52H33FN4O/c53-36-31-32-44(39(33-36)37-21-7-8-22-38(37)51-55-49(34-17-3-1-4-18-34)54-50(56-51)35-19-5-2-6-20-35)57-45-27-13-9-23-40(45)52(41-24-10-14-28-46(41)57)42-25-11-15-29-47(42)58-48-30-16-12-26-43(48)52/h1-33H
InChIKeyMYKLMCIVBINULA-UHFFFAOYSA-N
XLogP12.95
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.86
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]spiro[acridine-9,9'-xanthene]?
The IUPAC name of 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]spiro[acridine-9,9'-xanthene] (CID 153287586) is 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]spiro[acridine-9,9'-xanthene].
What is the SMILES notation for 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]spiro[acridine-9,9'-xanthene]?
The canonical SMILES for 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]spiro[acridine-9,9'-xanthene] is Fc1ccc(N2c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)c(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]spiro[acridine-9,9'-xanthene]?
The InChIKey is MYKLMCIVBINULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33FN4O/c53-36-31-32-44(39(33-36)37-21-7-8-22-38(37)51-55-49(34-17-3-1-4-18-34)54-50(56-51)35-19-5-2-6-20-35)57-45-27-13-9-23-40(45)52(41-24-10-14-28-46(41)57)42-25-11-15-29-47(42)58-48-30-16-12-26-43(48)52/h1-33H.
What are the key properties of 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]spiro[acridine-9,9'-xanthene]?
10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]spiro[acridine-9,9'-xanthene] has a molecular weight of 748.86 g/mol, XLogP of 12.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]spiro[acridine-9,9'-xanthene] is sourced from PubChem (CID 153287586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).