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

C102H70N6O4 — CID 159690137

IUPAC2,4-di(dibenzofuran-2-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
SMILESc1cc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc(-c2cccc3c2-c2ccccc2C32CCCCC2)c1.c1cc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc(-c2cccc3c2-c2ccccc2C32CCCCC2)c1
InChIInChI=1S/2C51H35N3O2/c1-8-26-51(27-9-1)41-18-5-2-16-40(41)47-35(17-11-19-42(47)51)31-12-10-13-32(28-31)48-52-49(33-22-24-38-36-14-3-6-20-43(36)55-45(38)29-33)54-50(53-48)34-23-25-39-37-15-4-7-21-44(37)56-46(39)30-34;1-8-26-51(27-9-1)41-18-5-2-16-38(41)47-35(17-11-19-42(47)51)31-12-10-13-32(28-31)48-52-49(33-22-24-45-39(29-33)36-14-3-6-20-43(36)55-45)54-50(53-48)34-23-25-46-40(30-34)37-15-4-7-21-44(37)56-46/h2*2-7,10-25,28-30H,1,8-9,26-27H2
InChIKeyMWHNRJXONOKQQJ-UHFFFAOYSA-N
MW1443.72 g/mol
LogP27.14
Rot. Bonds8

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

2,4-di(dibenzofuran-2-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine (PubChem CID 159690137) has the molecular formula C102H70N6O4 and a molecular weight of 1443.72 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-2-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(dibenzofuran-2-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
PubChem CID159690137
Molecular FormulaC102H70N6O4
Molecular Weight1443.72 g/mol
Exact Mass1442.55
IUPAC Name2,4-di(dibenzofuran-2-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
SMILESc1cc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc(-c2cccc3c2-c2ccccc2C32CCCCC2)c1.c1cc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc(-c2cccc3c2-c2ccccc2C32CCCCC2)c1
InChIInChI=1S/2C51H35N3O2/c1-8-26-51(27-9-1)41-18-5-2-16-40(41)47-35(17-11-19-42(47)51)31-12-10-13-32(28-31)48-52-49(33-22-24-38-36-14-3-6-20-43(36)55-45(38)29-33)54-50(53-48)34-23-25-39-37-15-4-7-21-44(37)56-46(39)30-34;1-8-26-51(27-9-1)41-18-5-2-16-38(41)47-35(17-11-19-42(47)51)31-12-10-13-32(28-31)48-52-49(33-22-24-45-39(29-33)36-14-3-6-20-43(36)55-45)54-50(53-48)34-23-25-46-40(30-34)37-15-4-7-21-44(37)56-46/h2*2-7,10-25,28-30H,1,8-9,26-27H2
InChIKeyMWHNRJXONOKQQJ-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-2-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 158747289
2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 158747290
2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 158143525
2,4-di(dibenzofuran-1-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-2-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 158143524
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
CID 166902101
CID 166902101
5'-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-carbonitrile
CID 171440561
2,4-diphenyl-6-(8-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(7-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzothiophen-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(8-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzothiophen-2-yl)-1,3,5-triazine
CID 159965592
5'-[4-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440715
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
5'-[6-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440952
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

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzofuran-2-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-di(dibenzofuran-2-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine (CID 159690137) is 2,4-di(dibenzofuran-2-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-di(dibenzofuran-2-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-di(dibenzofuran-2-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine is c1cc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc(-c2cccc3c2-c2ccccc2C32CCCCC2)c1.c1cc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc(-c2cccc3c2-c2ccccc2C32CCCCC2)c1.
What is the InChIKey of 2,4-di(dibenzofuran-2-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine?
The InChIKey is MWHNRJXONOKQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H35N3O2/c1-8-26-51(27-9-1)41-18-5-2-16-40(41)47-35(17-11-19-42(47)51)31-12-10-13-32(28-31)48-52-49(33-22-24-38-36-14-3-6-20-43(36)55-45(38)29-33)54-50(53-48)34-23-25-39-37-15-4-7-21-44(37)56-46(39)30-34;1-8-26-51(27-9-1)41-18-5-2-16-38(41)47-35(17-11-19-42(47)51)31-12-10-13-32(28-31)48-52-49(33-22-24-45-39(29-33)36-14-3-6-20-43(36)55-45)54-50(53-48)34-23-25-46-40(30-34)37-15-4-7-21-44(37)56-46/h2*2-7,10-25,28-30H,1,8-9,26-27H2.
What are the key properties of 2,4-di(dibenzofuran-2-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine?
2,4-di(dibenzofuran-2-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-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-2-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 159690137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).