2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-[3-(11-methyl-11-propan-2-ylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine

C153H104N10O3 — CID 158445961

IUPAC2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-[3-(11-methyl-11-propan-2-ylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
SMILESCC(C)C1(C)c2ccccc2-c2cc3oc4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7-c7ccccc7C8(C)C)n6)c5)ccc4c3cc21.CC1(C)c2cc3c(cc2-c2c(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)n4)cccc21)oc1ccccc13.c1ccc(-c2nc(-c3ccccn3)nc(-c3cccc4c3-c3cc5oc6ccccc6c5cc3C4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C55H35N3O.C53H41N3O.C45H28N4O/c1-54(2)45-25-14-21-39(50(45)41-31-49-40(30-46(41)54)38-20-9-13-26-48(38)59-49)53-57-51(32-15-4-3-5-16-32)56-52(58-53)33-27-28-37-36-19-8-12-24-44(36)55(47(37)29-33)42-22-10-6-17-34(42)35-18-7-11-23-43(35)55;1-31(2)53(5)43-23-12-9-19-36(43)40-30-47-41(29-45(40)53)37-26-25-34(28-46(37)57-47)33-17-13-18-35(27-33)50-54-49(32-15-7-6-8-16-32)55-51(56-50)39-21-14-24-44-48(39)38-20-10-11-22-42(38)52(44,3)4;1-4-15-29(16-5-1)42-47-43(49-44(48-42)38-24-12-13-26-46-38)33-22-14-23-36-41(33)35-28-40-34(32-21-10-11-25-39(32)50-40)27-37(35)45(36,30-17-6-2-7-18-30)31-19-8-3-9-20-31/h3-31H,1-2H3;6-31H,1-5H3;1-28H
InChIKeyHDJZKNRSYLJMCB-UHFFFAOYSA-N
MW2130.58 g/mol
LogP37.64
Rot. Bonds13

About 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-[3-(11-methyl-11-propan-2-ylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine

2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-[3-(11-methyl-11-propan-2-ylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine (PubChem CID 158445961) has the molecular formula C153H104N10O3 and a molecular weight of 2130.58 g/mol. Its IUPAC name is 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-[3-(11-methyl-11-propan-2-ylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-[3-(11-methyl-11-propan-2-ylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
PubChem CID158445961
Molecular FormulaC153H104N10O3
Molecular Weight2130.58 g/mol
Exact Mass2128.83
IUPAC Name2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-[3-(11-methyl-11-propan-2-ylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
SMILESCC(C)C1(C)c2ccccc2-c2cc3oc4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7-c7ccccc7C8(C)C)n6)c5)ccc4c3cc21.CC1(C)c2cc3c(cc2-c2c(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)n4)cccc21)oc1ccccc13.c1ccc(-c2nc(-c3ccccn3)nc(-c3cccc4c3-c3cc5oc6ccccc6c5cc3C4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C55H35N3O.C53H41N3O.C45H28N4O/c1-54(2)45-25-14-21-39(50(45)41-31-49-40(30-46(41)54)38-20-9-13-26-48(38)59-49)53-57-51(32-15-4-3-5-16-32)56-52(58-53)33-27-28-37-36-19-8-12-24-44(36)55(47(37)29-33)42-22-10-6-17-34(42)35-18-7-11-23-43(35)55;1-31(2)53(5)43-23-12-9-19-36(43)40-30-47-41(29-45(40)53)37-26-25-34(28-46(37)57-47)33-17-13-18-35(27-33)50-54-49(32-15-7-6-8-16-32)55-51(56-50)39-21-14-24-44-48(39)38-20-10-11-22-42(38)52(44,3)4;1-4-15-29(16-5-1)42-47-43(49-44(48-42)38-24-12-13-26-46-38)33-22-14-23-36-41(33)35-28-40-34(32-21-10-11-25-39(32)50-40)27-37(35)45(36,30-17-6-2-7-18-30)31-19-8-3-9-20-31/h3-31H,1-2H3;6-31H,1-5H3;1-28H
InChIKeyHDJZKNRSYLJMCB-UHFFFAOYSA-N
XLogP37.64
TPSA168.32 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002130.58
LogP ≤ 537.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-[3-(11-methyl-11-propan-2-ylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine with MolForge

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Related Compounds

2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-4,6-dipyridin-2-yl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 160935015
4-(4-dibenzofuran-3-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171603366
2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 165059295
2-dibenzofuran-3-yl-4,6-diphenylpyrimidine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158848714
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162170066
2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 165029905
2-dibenzofuran-1-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134218099
2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 130233115
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-6-yl)-4-(9,9-dimethylfluoren-2-yl)-6-pyridin-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160982163
2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3-(9,9-dimethyl-5,7-diphenylfluoren-2-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-4-yl)-5-pyridin-2-ylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 165079383
2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 130232494
2-(9,9-dimethylfluoren-4-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 159760308

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-[3-(11-methyl-11-propan-2-ylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-[3-(11-methyl-11-propan-2-ylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine (CID 158445961) is 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-[3-(11-methyl-11-propan-2-ylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-[3-(11-methyl-11-propan-2-ylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-[3-(11-methyl-11-propan-2-ylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine is CC(C)C1(C)c2ccccc2-c2cc3oc4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7-c7ccccc7C8(C)C)n6)c5)ccc4c3cc21.CC1(C)c2cc3c(cc2-c2c(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)n4)cccc21)oc1ccccc13.c1ccc(-c2nc(-c3ccccn3)nc(-c3cccc4c3-c3cc5oc6ccccc6c5cc3C4(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-[3-(11-methyl-11-propan-2-ylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The InChIKey is HDJZKNRSYLJMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O.C53H41N3O.C45H28N4O/c1-54(2)45-25-14-21-39(50(45)41-31-49-40(30-46(41)54)38-20-9-13-26-48(38)59-49)53-57-51(32-15-4-3-5-16-32)56-52(58-53)33-27-28-37-36-19-8-12-24-44(36)55(47(37)29-33)42-22-10-6-17-34(42)35-18-7-11-23-43(35)55;1-31(2)53(5)43-23-12-9-19-36(43)40-30-47-41(29-45(40)53)37-26-25-34(28-46(37)57-47)33-17-13-18-35(27-33)50-54-49(32-15-7-6-8-16-32)55-51(56-50)39-21-14-24-44-48(39)38-20-10-11-22-42(38)52(44,3)4;1-4-15-29(16-5-1)42-47-43(49-44(48-42)38-24-12-13-26-46-38)33-22-14-23-36-41(33)35-28-40-34(32-21-10-11-25-39(32)50-40)27-37(35)45(36,30-17-6-2-7-18-30)31-19-8-3-9-20-31/h3-31H,1-2H3;6-31H,1-5H3;1-28H.
What are the key properties of 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-[3-(11-methyl-11-propan-2-ylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-[3-(11-methyl-11-propan-2-ylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine has a molecular weight of 2130.58 g/mol, XLogP of 37.64, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-[3-(11-methyl-11-propan-2-ylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-7-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 158445961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).