2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine

C102H70N6O4 — CID 157367070

IUPAC2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine
SMILESc1ccc2c(c1)-c1cc(-c3ccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc3)ccc1C21CCCCC1.c1ccc2c(c1)-c1cc(-c3ccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)cc3)ccc1C21CCCCC1
InChIInChI=1S/2C51H35N3O2/c1-8-28-51(29-9-1)42-19-5-2-12-34(42)41-30-33(26-27-43(41)51)31-22-24-32(25-23-31)48-52-49(39-17-10-15-37-35-13-3-6-20-44(35)55-46(37)39)54-50(53-48)40-18-11-16-38-36-14-4-7-21-45(36)56-47(38)40;1-8-26-51(27-9-1)42-13-5-2-10-36(42)41-28-33(22-25-43(41)51)31-16-18-32(19-17-31)48-52-49(34-20-23-39-37-11-3-6-14-44(37)55-46(39)29-34)54-50(53-48)35-21-24-40-38-12-4-7-15-45(38)56-47(40)30-35/h2-7,10-27,30H,1,8-9,28-29H2;2-7,10-25,28-30H,1,8-9,26-27H2
InChIKeyBJHSSCRRYUCZOM-UHFFFAOYSA-N
MW1443.72 g/mol
LogP27.14
Rot. Bonds8

About 2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine

2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine (PubChem CID 157367070) has the molecular formula C102H70N6O4 and a molecular weight of 1443.72 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine
PubChem CID157367070
Molecular FormulaC102H70N6O4
Molecular Weight1443.72 g/mol
Exact Mass1442.55
IUPAC Name2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine
SMILESc1ccc2c(c1)-c1cc(-c3ccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc3)ccc1C21CCCCC1.c1ccc2c(c1)-c1cc(-c3ccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)cc3)ccc1C21CCCCC1
InChIInChI=1S/2C51H35N3O2/c1-8-28-51(29-9-1)42-19-5-2-12-34(42)41-30-33(26-27-43(41)51)31-22-24-32(25-23-31)48-52-49(39-17-10-15-37-35-13-3-6-20-44(35)55-46(37)39)54-50(53-48)40-18-11-16-38-36-14-4-7-21-45(36)56-47(38)40;1-8-26-51(27-9-1)42-13-5-2-10-36(42)41-28-33(22-25-43(41)51)31-16-18-32(19-17-31)48-52-49(34-20-23-39-37-11-3-6-14-44(37)55-46(39)29-34)54-50(53-48)35-21-24-40-38-12-4-7-15-45(38)56-47(40)30-35/h2-7,10-27,30H,1,8-9,28-29H2;2-7,10-25,28-30H,1,8-9,26-27H2
InChIKeyBJHSSCRRYUCZOM-UHFFFAOYSA-N
XLogP27.14
TPSA129.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001443.72
LogP ≤ 527.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine
CID 159384957
2-dibenzofuran-4-yl-4-phenyl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 158731147
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 158110650
2,4-di(dibenzofuran-4-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 159889956
2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 157181892
2-dibenzofuran-2-yl-4-(4-phenylphenyl)-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 160926464
2-dibenzofuran-2-yl-4-(4-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 159562639
2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 157181895
2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine
CID 159683427
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-dibenzofuran-4-yl-4-phenyl-6-[3-(4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine
CID 174300084
2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 158143525

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine (CID 157367070) is 2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine is c1ccc2c(c1)-c1cc(-c3ccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc3)ccc1C21CCCCC1.c1ccc2c(c1)-c1cc(-c3ccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)cc3)ccc1C21CCCCC1.
What is the InChIKey of 2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine?
The InChIKey is BJHSSCRRYUCZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H35N3O2/c1-8-28-51(29-9-1)42-19-5-2-12-34(42)41-30-33(26-27-43(41)51)31-22-24-32(25-23-31)48-52-49(39-17-10-15-37-35-13-3-6-20-44(35)55-46(37)39)54-50(53-48)40-18-11-16-38-36-14-4-7-21-45(36)56-47(38)40;1-8-26-51(27-9-1)42-13-5-2-10-36(42)41-28-33(22-25-43(41)51)31-16-18-32(19-17-31)48-52-49(34-20-23-39-37-11-3-6-14-44(37)55-46(39)29-34)54-50(53-48)35-21-24-40-38-12-4-7-15-45(38)56-47(40)30-35/h2-7,10-27,30H,1,8-9,28-29H2;2-7,10-25,28-30H,1,8-9,26-27H2.
What are the key properties of 2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine?
2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine has a molecular weight of 1443.72 g/mol, XLogP of 27.14, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 157367070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).