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

C152H98N6O3 — CID 159315421

IUPACmethane;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
SMILESC.C.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc4oc5c6c(ccc5c4c3)C3(c4ccccc4-c4ccccc43)c3ccccc3-6)cc2)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c4ccc4c5oc5ccccc54)cc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-c4cccc5c4C4(c6ccccc6-5)c5ccccc5-c5c4ccc4c5oc5ccccc54)cc3)nc3ccccc32)cc1
InChIInChI=1S/3C50H30N2O.2CH4/c1-2-13-33(14-3-1)52-44-23-10-9-22-43(44)51-49(52)32-27-25-31(26-28-32)34-18-12-19-37-35-15-4-7-20-40(35)50(47(34)37)41-21-8-5-17-39(41)46-42(50)30-29-38-36-16-6-11-24-45(36)53-48(38)46;1-2-12-34(13-3-1)52-45-20-10-9-19-44(45)51-49(52)32-24-22-31(23-25-32)33-26-27-36-35-14-4-7-17-40(35)50(43(36)30-33)41-18-8-5-16-39(41)47-42(50)29-28-38-37-15-6-11-21-46(37)53-48(38)47;1-2-12-32(13-3-1)49-51-44-20-10-11-21-45(44)52(49)34-25-22-31(23-26-34)33-24-29-46-39(30-33)37-27-28-43-47(48(37)53-46)38-16-6-9-19-42(38)50(43)40-17-7-4-14-35(40)36-15-5-8-18-41(36)50;;/h3*1-30H;2*1H4
InChIKeyLDBNSZZPKSWZMA-UHFFFAOYSA-N
MW2056.49 g/mol
LogP39.08
Rot. Bonds9

About 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

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 (PubChem CID 159315421) has the molecular formula C152H98N6O3 and a molecular weight of 2056.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethane;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
PubChem CID159315421
Molecular FormulaC152H98N6O3
Molecular Weight2056.49 g/mol
Exact Mass2054.77
IUPAC Namemethane;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
SMILESC.C.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc4oc5c6c(ccc5c4c3)C3(c4ccccc4-c4ccccc43)c3ccccc3-6)cc2)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c4ccc4c5oc5ccccc54)cc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-c4cccc5c4C4(c6ccccc6-5)c5ccccc5-c5c4ccc4c5oc5ccccc54)cc3)nc3ccccc32)cc1
InChIInChI=1S/3C50H30N2O.2CH4/c1-2-13-33(14-3-1)52-44-23-10-9-22-43(44)51-49(52)32-27-25-31(26-28-32)34-18-12-19-37-35-15-4-7-20-40(35)50(47(34)37)41-21-8-5-17-39(41)46-42(50)30-29-38-36-16-6-11-24-45(36)53-48(38)46;1-2-12-34(13-3-1)52-45-20-10-9-19-44(45)51-49(52)32-24-22-31(23-25-32)33-26-27-36-35-14-4-7-17-40(35)50(43(36)30-33)41-18-8-5-16-39(41)47-42(50)29-28-38-37-15-6-11-21-46(37)53-48(38)47;1-2-12-32(13-3-1)49-51-44-20-10-11-21-45(44)52(49)34-25-22-31(23-26-34)33-24-29-46-39(30-33)37-27-28-43-47(48(37)53-46)38-16-6-9-19-42(38)50(43)40-17-7-4-14-35(40)36-15-5-8-18-41(36)50;;/h3*1-30H;2*1H4
InChIKeyLDBNSZZPKSWZMA-UHFFFAOYSA-N
XLogP39.08
TPSA92.88 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002056.49
LogP ≤ 539.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)benzimidazole
CID 122627128
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
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
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
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
2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole
CID 130287427
2-[9'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[3'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-yl]-4,6-diphenyl-1,3,5-triazine;methane
CID 162212925
1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole
CID 122627125
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-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole
CID 58309665
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc4oc5c6c(ccc5c4c3)C3(c4ccccc4-c4ccccc43)c3ccccc3-6)cc2)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c4ccc4c5oc5ccccc54)cc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-c4cccc5c4C4(c6ccccc6-5)c5ccccc5-c5c4ccc4c5oc5ccccc54)cc3)nc3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is LDBNSZZPKSWZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C50H30N2O.2CH4/c1-2-13-33(14-3-1)52-44-23-10-9-22-43(44)51-49(52)32-27-25-31(26-28-32)34-18-12-19-37-35-15-4-7-20-40(35)50(47(34)37)41-21-8-5-17-39(41)46-42(50)30-29-38-36-16-6-11-24-45(36)53-48(38)46;1-2-12-34(13-3-1)52-45-20-10-9-19-44(45)51-49(52)32-24-22-31(23-25-32)33-26-27-36-35-14-4-7-17-40(35)50(43(36)30-33)41-18-8-5-16-39(41)47-42(50)29-28-38-37-15-6-11-21-46(37)53-48(38)47;1-2-12-32(13-3-1)49-51-44-20-10-11-21-45(44)52(49)34-25-22-31(23-26-34)33-24-29-46-39(30-33)37-27-28-43-47(48(37)53-46)38-16-6-9-19-42(38)50(43)40-17-7-4-14-35(40)36-15-5-8-18-41(36)50;;/h3*1-30H;2*1H4.
What are the key properties of 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?
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 has a molecular weight of 2056.49 g/mol, XLogP of 39.08, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159315421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).