2'-diphenylphosphorylspiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran];2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2-yl-1,3,5-triazine;1-phenyl-2-(4-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-4-ylphenyl)benzimidazole

C185H111N8O5P — CID 158795608

IUPAC2'-diphenylphosphorylspiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran];2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2-yl-1,3,5-triazine;1-phenyl-2-(4-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-4-ylphenyl)benzimidazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2oc3cc4c(cc3c2c1)C1(c2ccccc2-c2ccccc21)c1ccccc1-4.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5oc6ccccc6c5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cc6c(cc5c4c3)C3(c4ccccc4-c4ccccc43)c3ccccc3-6)n2)cc1.c1ccc(-n2c(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5cc6oc7ccccc7c6cc54)cc3)nc3ccccc32)cc1
InChIInChI=1S/C50H30N2O.2C46H27N3O.C43H27O2P/c1-2-13-33(14-3-1)52-45-23-10-9-22-44(45)51-49(52)32-27-25-31(26-28-32)34-18-12-21-42-48(34)37-17-5-8-20-41(37)50(42)40-19-7-4-15-35(40)38-30-47-39(29-43(38)50)36-16-6-11-24-46(36)53-47;1-3-13-28(14-4-1)43-47-44(29-15-5-2-6-16-29)49-45(48-43)30-23-24-33-31-17-7-10-20-37(31)46(39(33)25-30)38-21-11-8-18-32(38)35-27-42-36(26-40(35)46)34-19-9-12-22-41(34)50-42;1-3-13-28(14-4-1)43-47-44(29-15-5-2-6-16-29)49-45(48-43)30-23-24-41-35(25-30)36-26-40-34(27-42(36)50-41)33-19-9-12-22-39(33)46(40)37-20-10-7-17-31(37)32-18-8-11-21-38(32)46;44-46(28-13-3-1-4-14-28,29-15-5-2-6-16-29)30-23-24-41-35(25-30)36-26-40-34(27-42(36)45-41)33-19-9-12-22-39(33)43(40)37-20-10-7-17-31(37)32-18-8-11-21-38(32)43/h1-30H;2*1-27H;1-27H
InChIKeyISVBFVLNDDXXSI-UHFFFAOYSA-N
MW2556.95 g/mol
LogP44.40
Rot. Bonds12

About 2'-diphenylphosphorylspiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran];2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2-yl-1,3,5-triazine;1-phenyl-2-(4-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-4-ylphenyl)benzimidazole

2'-diphenylphosphorylspiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran];2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2-yl-1,3,5-triazine;1-phenyl-2-(4-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-4-ylphenyl)benzimidazole (PubChem CID 158795608) has the molecular formula C185H111N8O5P and a molecular weight of 2556.95 g/mol. Its IUPAC name is 2'-diphenylphosphorylspiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran];2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2-yl-1,3,5-triazine;1-phenyl-2-(4-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-4-ylphenyl)benzimidazole.

Molecular Properties

Compound Name2'-diphenylphosphorylspiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran];2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2-yl-1,3,5-triazine;1-phenyl-2-(4-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-4-ylphenyl)benzimidazole
PubChem CID158795608
Molecular FormulaC185H111N8O5P
Molecular Weight2556.95 g/mol
Exact Mass2554.84
IUPAC Name2'-diphenylphosphorylspiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran];2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2-yl-1,3,5-triazine;1-phenyl-2-(4-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-4-ylphenyl)benzimidazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2oc3cc4c(cc3c2c1)C1(c2ccccc2-c2ccccc21)c1ccccc1-4.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5oc6ccccc6c5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cc6c(cc5c4c3)C3(c4ccccc4-c4ccccc43)c3ccccc3-6)n2)cc1.c1ccc(-n2c(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5cc6oc7ccccc7c6cc54)cc3)nc3ccccc32)cc1
InChIInChI=1S/C50H30N2O.2C46H27N3O.C43H27O2P/c1-2-13-33(14-3-1)52-45-23-10-9-22-44(45)51-49(52)32-27-25-31(26-28-32)34-18-12-21-42-48(34)37-17-5-8-20-41(37)50(42)40-19-7-4-15-35(40)38-30-47-39(29-43(38)50)36-16-6-11-24-46(36)53-47;1-3-13-28(14-4-1)43-47-44(29-15-5-2-6-16-29)49-45(48-43)30-23-24-33-31-17-7-10-20-37(31)46(39(33)25-30)38-21-11-8-18-32(38)35-27-42-36(26-40(35)46)34-19-9-12-22-41(34)50-42;1-3-13-28(14-4-1)43-47-44(29-15-5-2-6-16-29)49-45(48-43)30-23-24-41-35(25-30)36-26-40-34(27-42(36)50-41)33-19-9-12-22-39(33)46(40)37-20-10-7-17-31(37)32-18-8-11-21-38(32)46;44-46(28-13-3-1-4-14-28,29-15-5-2-6-16-29)30-23-24-41-35(25-30)36-26-40-34(27-42(36)45-41)33-19-9-12-22-39(33)43(40)37-20-10-7-17-31(37)32-18-8-11-21-38(32)43/h1-30H;2*1-27H;1-27H
InChIKeyISVBFVLNDDXXSI-UHFFFAOYSA-N
XLogP44.40
TPSA164.79 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002556.95
LogP ≤ 544.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2'-diphenylphosphorylspiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran];2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2-yl-1,3,5-triazine;1-phenyl-2-(4-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-4-ylphenyl)benzimidazole with MolForge

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Related Compounds

methane;1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)benzimidazole;1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-ylphenyl)benzimidazole;2-phenyl-1-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3'-ylphenyl)benzimidazole
CID 159315421
1,2-diphenyl-5-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'-ylbenzimidazole
CID 134573613
1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 118688264
2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 148942600
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688206
1-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;1-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;1-[3-[4-dibenzofuran-1-yl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;1-[3-[4-dibenzofuran-4-yl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;1-[3-[4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;9-phenyl-3-[4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 159806293
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
2-phenyl-1-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]benzimidazole
CID 118688255
2-dibenzofuran-2-yl-9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-2-yl-9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 158529955
3'-[5-(6-dibenzofuran-2-yl-2,10-diphenylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene];1-phenyl-2-[4-[9-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole
CID 158963773
2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane
CID 160785329
1-(4-phenylphenyl)-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylbenzimidazole
CID 134528323

Frequently Asked Questions

What is the IUPAC name of 2'-diphenylphosphorylspiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran];2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2-yl-1,3,5-triazine;1-phenyl-2-(4-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-4-ylphenyl)benzimidazole?
The IUPAC name of 2'-diphenylphosphorylspiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran];2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2-yl-1,3,5-triazine;1-phenyl-2-(4-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-4-ylphenyl)benzimidazole (CID 158795608) is 2'-diphenylphosphorylspiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran];2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2-yl-1,3,5-triazine;1-phenyl-2-(4-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-4-ylphenyl)benzimidazole.
What is the SMILES notation for 2'-diphenylphosphorylspiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran];2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2-yl-1,3,5-triazine;1-phenyl-2-(4-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-4-ylphenyl)benzimidazole?
The canonical SMILES for 2'-diphenylphosphorylspiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran];2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2-yl-1,3,5-triazine;1-phenyl-2-(4-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-4-ylphenyl)benzimidazole is O=P(c1ccccc1)(c1ccccc1)c1ccc2oc3cc4c(cc3c2c1)C1(c2ccccc2-c2ccccc21)c1ccccc1-4.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5oc6ccccc6c5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cc6c(cc5c4c3)C3(c4ccccc4-c4ccccc43)c3ccccc3-6)n2)cc1.c1ccc(-n2c(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5cc6oc7ccccc7c6cc54)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2'-diphenylphosphorylspiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran];2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2-yl-1,3,5-triazine;1-phenyl-2-(4-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-4-ylphenyl)benzimidazole?
The InChIKey is ISVBFVLNDDXXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O.2C46H27N3O.C43H27O2P/c1-2-13-33(14-3-1)52-45-23-10-9-22-44(45)51-49(52)32-27-25-31(26-28-32)34-18-12-21-42-48(34)37-17-5-8-20-41(37)50(42)40-19-7-4-15-35(40)38-30-47-39(29-43(38)50)36-16-6-11-24-46(36)53-47;1-3-13-28(14-4-1)43-47-44(29-15-5-2-6-16-29)49-45(48-43)30-23-24-33-31-17-7-10-20-37(31)46(39(33)25-30)38-21-11-8-18-32(38)35-27-42-36(26-40(35)46)34-19-9-12-22-41(34)50-42;1-3-13-28(14-4-1)43-47-44(29-15-5-2-6-16-29)49-45(48-43)30-23-24-41-35(25-30)36-26-40-34(27-42(36)50-41)33-19-9-12-22-39(33)46(40)37-20-10-7-17-31(37)32-18-8-11-21-38(32)46;44-46(28-13-3-1-4-14-28,29-15-5-2-6-16-29)30-23-24-41-35(25-30)36-26-40-34(27-42(36)45-41)33-19-9-12-22-39(33)43(40)37-20-10-7-17-31(37)32-18-8-11-21-38(32)43/h1-30H;2*1-27H;1-27H.
What are the key properties of 2'-diphenylphosphorylspiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran];2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2-yl-1,3,5-triazine;1-phenyl-2-(4-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-4-ylphenyl)benzimidazole?
2'-diphenylphosphorylspiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran];2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2-yl-1,3,5-triazine;1-phenyl-2-(4-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-4-ylphenyl)benzimidazole has a molecular weight of 2556.95 g/mol, XLogP of 44.40, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-diphenylphosphorylspiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran];2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2-yl-1,3,5-triazine;1-phenyl-2-(4-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-4-ylphenyl)benzimidazole is sourced from PubChem (CID 158795608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).