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

C96H56N6O3 — CID 166710660

IUPAC2-phenyl-4-[6-[4-[4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5ccc(-c6nc(-c7cccc8c7Oc7ccccc7C87c8ccccc8-c8ccccc87)nc(-c7ccc(-c8ccccc8)c8ccccc78)n6)cc5)cccc34)nc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C96H56N6O3/c1-3-24-57(25-4-1)62-54-55-72(65-29-8-7-28-64(62)65)92-98-90(100-94(102-92)74-37-23-45-82-88(74)104-84-47-20-18-43-80(84)96(82)77-40-15-11-32-68(77)69-33-12-16-41-78(69)96)60-50-48-58(49-51-60)63-34-21-35-71-70-53-52-61(56-85(70)105-86(63)71)91-97-89(59-26-5-2-6-27-59)99-93(101-91)73-36-22-44-81-87(73)103-83-46-19-17-42-79(83)95(81)75-38-13-9-30-66(75)67-31-10-14-39-76(67)95/h1-56H
InChIKeyRHMPYUZIVYGMIU-UHFFFAOYSA-N
MW1341.54 g/mol
LogP23.38
Rot. Bonds8

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

2-phenyl-4-[6-[4-[4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine (PubChem CID 166710660) has the molecular formula C96H56N6O3 and a molecular weight of 1341.54 g/mol. Its IUPAC name is 2-phenyl-4-[6-[4-[4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[6-[4-[4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine
PubChem CID166710660
Molecular FormulaC96H56N6O3
Molecular Weight1341.54 g/mol
Exact Mass1340.44
IUPAC Name2-phenyl-4-[6-[4-[4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5ccc(-c6nc(-c7cccc8c7Oc7ccccc7C87c8ccccc8-c8ccccc87)nc(-c7ccc(-c8ccccc8)c8ccccc78)n6)cc5)cccc34)nc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C96H56N6O3/c1-3-24-57(25-4-1)62-54-55-72(65-29-8-7-28-64(62)65)92-98-90(100-94(102-92)74-37-23-45-82-88(74)104-84-47-20-18-43-80(84)96(82)77-40-15-11-32-68(77)69-33-12-16-41-78(69)96)60-50-48-58(49-51-60)63-34-21-35-71-70-53-52-61(56-85(70)105-86(63)71)91-97-89(59-26-5-2-6-27-59)99-93(101-91)73-36-22-44-81-87(73)103-83-46-19-17-42-79(83)95(81)75-38-13-9-30-66(75)67-31-10-14-39-76(67)95/h1-56H
InChIKeyRHMPYUZIVYGMIU-UHFFFAOYSA-N
XLogP23.38
TPSA108.94 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001341.54
LogP ≤ 523.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-phenyl-4-[6-[4-[4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-[6-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166952589
2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 167349084
4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 167348949
2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 157349691
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 140947298
2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine
CID 167349465
CID 146184431
CID 146184431
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine;methane
CID 160570361
2-phenyl-4-(7-phenyldibenzofuran-3-yl)-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155477108
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine
CID 160749645
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 130379042
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 137388725

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[6-[4-[4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[6-[4-[4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine (CID 166710660) is 2-phenyl-4-[6-[4-[4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[6-[4-[4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[6-[4-[4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5ccc(-c6nc(-c7cccc8c7Oc7ccccc7C87c8ccccc8-c8ccccc87)nc(-c7ccc(-c8ccccc8)c8ccccc78)n6)cc5)cccc34)nc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 2-phenyl-4-[6-[4-[4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine?
The InChIKey is RHMPYUZIVYGMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H56N6O3/c1-3-24-57(25-4-1)62-54-55-72(65-29-8-7-28-64(62)65)92-98-90(100-94(102-92)74-37-23-45-82-88(74)104-84-47-20-18-43-80(84)96(82)77-40-15-11-32-68(77)69-33-12-16-41-78(69)96)60-50-48-58(49-51-60)63-34-21-35-71-70-53-52-61(56-85(70)105-86(63)71)91-97-89(59-26-5-2-6-27-59)99-93(101-91)73-36-22-44-81-87(73)103-83-46-19-17-42-79(83)95(81)75-38-13-9-30-66(75)67-31-10-14-39-76(67)95/h1-56H.
What are the key properties of 2-phenyl-4-[6-[4-[4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine?
2-phenyl-4-[6-[4-[4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine has a molecular weight of 1341.54 g/mol, XLogP of 23.38, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[6-[4-[4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine is sourced from PubChem (CID 166710660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).