2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]

C52H34F2N4 — CID 129263672

IUPAC2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
SMILESFc1ccc(C2=NC(c3cccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5N(c5ccccc5)c5ccccc54)c3)N=C(c3ccc(F)cc3)N2)cc1
InChIInChI=1S/C52H34F2N4/c53-38-26-21-33(22-27-38)49-55-50(34-23-28-39(54)29-24-34)57-51(56-49)37-12-10-11-35(31-37)36-25-30-42-41-15-4-5-16-43(41)52(46(42)32-36)44-17-6-8-19-47(44)58(40-13-2-1-3-14-40)48-20-9-7-18-45(48)52/h1-32,51H,(H,55,56,57)
InChIKeyOGQNCOCWFFBBDU-UHFFFAOYSA-N
MW752.87 g/mol
LogP12.27
Rot. Bonds5

About 2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]

2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 129263672) has the molecular formula C52H34F2N4 and a molecular weight of 752.87 g/mol. Its IUPAC name is 2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
PubChem CID129263672
Molecular FormulaC52H34F2N4
Molecular Weight752.87 g/mol
Exact Mass752.28
IUPAC Name2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
SMILESFc1ccc(C2=NC(c3cccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5N(c5ccccc5)c5ccccc54)c3)N=C(c3ccc(F)cc3)N2)cc1
InChIInChI=1S/C52H34F2N4/c53-38-26-21-33(22-27-38)49-55-50(34-23-28-39(54)29-24-34)57-51(56-49)37-12-10-11-35(31-37)36-25-30-42-41-15-4-5-16-43(41)52(46(42)32-36)44-17-6-8-19-47(44)58(40-13-2-1-3-14-40)48-20-9-7-18-45(48)52/h1-32,51H,(H,55,56,57)
InChIKeyOGQNCOCWFFBBDU-UHFFFAOYSA-N
XLogP12.27
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.87
LogP ≤ 512.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] with MolForge

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Related Compounds

2'-[3-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263428
10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263303
4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 139400710
10-phenyl-2'-[3-[4-phenyl-2-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263663
2'-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263734
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 137217476
10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263552
2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 152940475
2'-[3-[3-[3-[(2S)-3,5-diphenyl-2H-pyrrol-2-yl]phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263212
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 142504632
10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 137217473

Frequently Asked Questions

What is the IUPAC name of 2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?
The IUPAC name of 2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] (CID 129263672) is 2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene].
What is the SMILES notation for 2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?
The canonical SMILES for 2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] is Fc1ccc(C2=NC(c3cccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5N(c5ccccc5)c5ccccc54)c3)N=C(c3ccc(F)cc3)N2)cc1.
What is the InChIKey of 2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?
The InChIKey is OGQNCOCWFFBBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34F2N4/c53-38-26-21-33(22-27-38)49-55-50(34-23-28-39(54)29-24-34)57-51(56-49)37-12-10-11-35(31-37)36-25-30-42-41-15-4-5-16-43(41)52(46(42)32-36)44-17-6-8-19-47(44)58(40-13-2-1-3-14-40)48-20-9-7-18-45(48)52/h1-32,51H,(H,55,56,57).
What are the key properties of 2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?
2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 752.87 g/mol, XLogP of 12.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 129263672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).