2-[3-[3-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine

C60H46N6 — CID 174300049

IUPAC2-[3-[3-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7-c7ccccc7C87CCCCC7)n6)c5)c4)cc3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C60H46N6/c1-5-18-41(19-6-1)54-61-55(42-20-7-2-8-21-42)63-57(62-54)44-34-32-40(33-35-44)45-24-15-25-46(38-45)47-26-16-27-48(39-47)58-64-56(43-22-9-3-10-23-43)65-59(66-58)50-29-17-31-52-53(50)49-28-11-12-30-51(49)60(52)36-13-4-14-37-60/h1-3,5-12,15-35,38-39,57H,4,13-14,36-37H2,(H,61,62,63)
InChIKeyHNXFHNZDCOHTLG-UHFFFAOYSA-N
MW851.07 g/mol
LogP13.93
Rot. Bonds8

About 2-[3-[3-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine

2-[3-[3-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine (PubChem CID 174300049) has the molecular formula C60H46N6 and a molecular weight of 851.07 g/mol. Its IUPAC name is 2-[3-[3-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[3-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine
PubChem CID174300049
Molecular FormulaC60H46N6
Molecular Weight851.07 g/mol
Exact Mass850.38
IUPAC Name2-[3-[3-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7-c7ccccc7C87CCCCC7)n6)c5)c4)cc3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C60H46N6/c1-5-18-41(19-6-1)54-61-55(42-20-7-2-8-21-42)63-57(62-54)44-34-32-40(33-35-44)45-24-15-25-46(38-45)47-26-16-27-48(39-47)58-64-56(43-22-9-3-10-23-43)65-59(66-58)50-29-17-31-52-53(50)49-28-11-12-30-51(49)60(52)36-13-4-14-37-60/h1-3,5-12,15-35,38-39,57H,4,13-14,36-37H2,(H,61,62,63)
InChIKeyHNXFHNZDCOHTLG-UHFFFAOYSA-N
XLogP13.93
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.07
LogP ≤ 513.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[3-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 159019694
2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159255528
2,4-diphenyl-6-[3-[3-[2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]phenyl]-1,3,5-triazine
CID 166022884
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160653174
2-[4-[6-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139339084
2-phenyl-4-(4-phenylphenyl)-6-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,5-triazine
CID 88890940
2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160674553
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 146352321
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 162137850
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159514358
2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159556137
CID 166901869
CID 166901869

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine?
The IUPAC name of 2-[3-[3-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine (CID 174300049) is 2-[3-[3-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[3-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine?
The canonical SMILES for 2-[3-[3-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine is c1ccc(C2=NC(c3ccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7-c7ccccc7C87CCCCC7)n6)c5)c4)cc3)NC(c3ccccc3)=N2)cc1.
What is the InChIKey of 2-[3-[3-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine?
The InChIKey is HNXFHNZDCOHTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N6/c1-5-18-41(19-6-1)54-61-55(42-20-7-2-8-21-42)63-57(62-54)44-34-32-40(33-35-44)45-24-15-25-46(38-45)47-26-16-27-48(39-47)58-64-56(43-22-9-3-10-23-43)65-59(66-58)50-29-17-31-52-53(50)49-28-11-12-30-51(49)60(52)36-13-4-14-37-60/h1-3,5-12,15-35,38-39,57H,4,13-14,36-37H2,(H,61,62,63).
What are the key properties of 2-[3-[3-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine?
2-[3-[3-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine has a molecular weight of 851.07 g/mol, XLogP of 13.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine is sourced from PubChem (CID 174300049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).