2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-9'-yl-1,3,5-triazine;2-ethyl-1-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylbenzimidazole

C133H81N7O3 — CID 158174713

IUPAC2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-9'-yl-1,3,5-triazine;2-ethyl-1-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc2oc3cc4c(cc3c2c1)-c1ccccc1C41c2ccccc2-c2ccccc21.c1ccc(-c2cc(-c3ccc4oc5cc6c(cc5c4c3)-c3ccccc3C63c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc5oc6ccccc6c5cc3-4)n2)cc1
InChIInChI=1S/C47H28N2O.C46H27N3O.C40H26N2O/c1-3-13-29(14-4-1)42-28-43(49-46(48-42)30-15-5-2-6-16-30)31-23-24-44-36(25-31)37-26-35-34-19-9-12-22-40(34)47(41(35)27-45(37)50-44)38-20-10-7-17-32(38)33-18-8-11-21-39(33)47;1-3-13-28(14-4-1)43-47-44(29-15-5-2-6-16-29)49-45(48-43)30-23-24-33-35-26-36-34-19-9-12-22-41(34)50-42(36)27-40(35)46(39(33)25-30)37-20-10-7-17-31(37)32-18-8-11-21-38(32)46;1-2-39-41-35-17-9-10-18-36(35)42(39)24-19-20-37-29(21-24)30-22-28-27-13-5-8-16-33(27)40(34(28)23-38(30)43-37)31-14-6-3-11-25(31)26-12-4-7-15-32(26)40/h1-28H;1-27H;3-23H,2H2,1H3
InChIKeyFXWFNHRPSJUVKY-UHFFFAOYSA-N
MW1825.16 g/mol
LogP32.67
Rot. Bonds8

About 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-9'-yl-1,3,5-triazine;2-ethyl-1-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylbenzimidazole

2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-9'-yl-1,3,5-triazine;2-ethyl-1-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylbenzimidazole (PubChem CID 158174713) has the molecular formula C133H81N7O3 and a molecular weight of 1825.16 g/mol. Its IUPAC name is 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-9'-yl-1,3,5-triazine;2-ethyl-1-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylbenzimidazole.

Molecular Properties

Compound Name2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-9'-yl-1,3,5-triazine;2-ethyl-1-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylbenzimidazole
PubChem CID158174713
Molecular FormulaC133H81N7O3
Molecular Weight1825.16 g/mol
Exact Mass1823.64
IUPAC Name2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-9'-yl-1,3,5-triazine;2-ethyl-1-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc2oc3cc4c(cc3c2c1)-c1ccccc1C41c2ccccc2-c2ccccc21.c1ccc(-c2cc(-c3ccc4oc5cc6c(cc5c4c3)-c3ccccc3C63c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc5oc6ccccc6c5cc3-4)n2)cc1
InChIInChI=1S/C47H28N2O.C46H27N3O.C40H26N2O/c1-3-13-29(14-4-1)42-28-43(49-46(48-42)30-15-5-2-6-16-30)31-23-24-44-36(25-31)37-26-35-34-19-9-12-22-40(34)47(41(35)27-45(37)50-44)38-20-10-7-17-32(38)33-18-8-11-21-39(33)47;1-3-13-28(14-4-1)43-47-44(29-15-5-2-6-16-29)49-45(48-43)30-23-24-33-35-26-36-34-19-9-12-22-41(34)50-42(36)27-40(35)46(39(33)25-30)37-20-10-7-17-31(37)32-18-8-11-21-38(32)46;1-2-39-41-35-17-9-10-18-36(35)42(39)24-19-20-37-29(21-24)30-22-28-27-13-5-8-16-33(27)40(34(28)23-38(30)43-37)31-14-6-3-11-25(31)26-12-4-7-15-32(26)40/h1-28H;1-27H;3-23H,2H2,1H3
InChIKeyFXWFNHRPSJUVKY-UHFFFAOYSA-N
XLogP32.67
TPSA121.69 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001825.16
LogP ≤ 532.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-9'-yl-1,3,5-triazine;2-ethyl-1-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylbenzimidazole with MolForge

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Related Compounds

3-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 118688237
2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573455
2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-9-ylpyrimidine
CID 167340456
4,6-diphenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573611
2-ethyl-1-[4-[2-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]benzimidazole
CID 166043161
2-dibenzofuran-2-yl-4-(3-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]-2-ylpyrimidine;2-dibenzofuran-3-yl-4-(3-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]-2-ylpyrimidine;2-dibenzofuran-3-yl-4-phenyl-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]-2-ylpyrimidine
CID 158042977
4-phenyl-2-(2-phenylpyrimidin-5-yl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573609
4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573547
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688206
4-dibenzofuran-2-yl-6-(3,5-diphenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 153288108
9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole
CID 153483840
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 138564841

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-9'-yl-1,3,5-triazine;2-ethyl-1-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylbenzimidazole?
The IUPAC name of 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-9'-yl-1,3,5-triazine;2-ethyl-1-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylbenzimidazole (CID 158174713) is 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-9'-yl-1,3,5-triazine;2-ethyl-1-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylbenzimidazole.
What is the SMILES notation for 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-9'-yl-1,3,5-triazine;2-ethyl-1-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylbenzimidazole?
The canonical SMILES for 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-9'-yl-1,3,5-triazine;2-ethyl-1-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylbenzimidazole is CCc1nc2ccccc2n1-c1ccc2oc3cc4c(cc3c2c1)-c1ccccc1C41c2ccccc2-c2ccccc21.c1ccc(-c2cc(-c3ccc4oc5cc6c(cc5c4c3)-c3ccccc3C63c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc5oc6ccccc6c5cc3-4)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-9'-yl-1,3,5-triazine;2-ethyl-1-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylbenzimidazole?
The InChIKey is FXWFNHRPSJUVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O.C46H27N3O.C40H26N2O/c1-3-13-29(14-4-1)42-28-43(49-46(48-42)30-15-5-2-6-16-30)31-23-24-44-36(25-31)37-26-35-34-19-9-12-22-40(34)47(41(35)27-45(37)50-44)38-20-10-7-17-32(38)33-18-8-11-21-39(33)47;1-3-13-28(14-4-1)43-47-44(29-15-5-2-6-16-29)49-45(48-43)30-23-24-33-35-26-36-34-19-9-12-22-41(34)50-42(36)27-40(35)46(39(33)25-30)37-20-10-7-17-31(37)32-18-8-11-21-38(32)46;1-2-39-41-35-17-9-10-18-36(35)42(39)24-19-20-37-29(21-24)30-22-28-27-13-5-8-16-33(27)40(34(28)23-38(30)43-37)31-14-6-3-11-25(31)26-12-4-7-15-32(26)40/h1-28H;1-27H;3-23H,2H2,1H3.
What are the key properties of 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-9'-yl-1,3,5-triazine;2-ethyl-1-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylbenzimidazole?
2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-9'-yl-1,3,5-triazine;2-ethyl-1-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylbenzimidazole has a molecular weight of 1825.16 g/mol, XLogP of 32.67, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-9'-yl-1,3,5-triazine;2-ethyl-1-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylbenzimidazole is sourced from PubChem (CID 158174713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).