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

C56H34N2O — CID 134573613

IUPAC1,2-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
SMILESc1ccc(-c2nc3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-5)c5ccccc5-c5cc6oc7ccccc7c6cc54)ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C56H34N2O/c1-3-15-35(16-4-1)55-57-51-32-37(28-30-52(51)58(55)38-17-5-2-6-18-38)36-27-29-43-40-20-8-7-19-39(40)41-21-9-12-24-47(41)56(49(43)31-36)48-25-13-10-22-42(48)45-34-54-46(33-50(45)56)44-23-11-14-26-53(44)59-54/h1-34H
InChIKeyJHUCKEPJBJQXIH-UHFFFAOYSA-N
MW750.90 g/mol
LogP14.27
Rot. Bonds3

About 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

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 (PubChem CID 134573613) has the molecular formula C56H34N2O and a molecular weight of 750.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2-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
PubChem CID134573613
Molecular FormulaC56H34N2O
Molecular Weight750.90 g/mol
Exact Mass750.27
IUPAC Name1,2-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
SMILESc1ccc(-c2nc3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-5)c5ccccc5-c5cc6oc7ccccc7c6cc54)ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C56H34N2O/c1-3-15-35(16-4-1)55-57-51-32-37(28-30-52(51)58(55)38-17-5-2-6-18-38)36-27-29-43-40-20-8-7-19-39(40)41-21-9-12-24-47(41)56(49(43)31-36)48-25-13-10-22-42(48)45-34-54-46(33-50(45)56)44-23-11-14-26-53(44)59-54/h1-34H
InChIKeyJHUCKEPJBJQXIH-UHFFFAOYSA-N
XLogP14.27
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.90
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

1,2-diphenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylbenzimidazole
CID 137494282
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'-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
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole
CID 164783517
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
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
2-(3-methylphenyl)-4-phenyl-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'-yl-1,3,5-triazine
CID 134573599
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
21-dibenzofuran-2-yl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14,21-diazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;10-[9-(3,5-diphenylphenyl)carbazol-3-yl]-21-(3-phenylphenyl)-14,21-diazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;10-(2-phenylbenzimidazol-1-yl)-21-(3-phenylphenyl)-14,21-diazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;21-(3-phenylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)-14,21-diazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene
CID 159429010
5-[3-(1,2-diphenylbenzimidazol-5-yl)-5-spiro[fluorene-9,9'-thioxanthene]-3-ylphenyl]-1,2-diphenylbenzimidazole
CID 164783790
2-phenyl-4-(4-phenylphenyl)-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]-10'-yl-1,3,5-triazine
CID 153287979

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-5)c5ccccc5-c5cc6oc7ccccc7c6cc54)ccc3n2-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is JHUCKEPJBJQXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2O/c1-3-15-35(16-4-1)55-57-51-32-37(28-30-52(51)58(55)38-17-5-2-6-18-38)36-27-29-43-40-20-8-7-19-39(40)41-21-9-12-24-47(41)56(49(43)31-36)48-25-13-10-22-42(48)45-34-54-46(33-50(45)56)44-23-11-14-26-53(44)59-54/h1-34H.
What are the key properties of 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?
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 has a molecular weight of 750.90 g/mol, XLogP of 14.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134573613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).