2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole

C50H32N2 — CID 170942090

IUPAC2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
SMILESc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C50H32N2/c1-2-12-33(13-3-1)34-22-24-36(25-23-34)49-51-47-20-10-11-21-48(47)52(49)38-29-26-35(27-30-38)37-28-31-42-41-16-6-9-19-45(41)50(46(42)32-37)43-17-7-4-14-39(43)40-15-5-8-18-44(40)50/h1-32H
InChIKeyGZHQOLIYFYYJPD-UHFFFAOYSA-N
MW660.82 g/mol
LogP12.37
Rot. Bonds4

About 2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole

2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole (PubChem CID 170942090) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
PubChem CID170942090
Molecular FormulaC50H32N2
Molecular Weight660.82 g/mol
Exact Mass660.26
IUPAC Name2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
SMILESc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C50H32N2/c1-2-12-33(13-3-1)34-22-24-36(25-23-34)49-51-47-20-10-11-21-48(47)52(49)38-29-26-35(27-30-38)37-28-31-42-41-16-6-9-19-45(41)50(46(42)32-37)43-17-7-4-14-39(43)40-15-5-8-18-44(40)50/h1-32H
InChIKeyGZHQOLIYFYYJPD-UHFFFAOYSA-N
XLogP12.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948
2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole
CID 130287427
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
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688206
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 156528656
1-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7-diphenyl-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688194
1-phenyl-2-(4-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylphenyl)benzimidazole
CID 134258304
2-phenyl-1-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]benzimidazole
CID 118688255
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]benzimidazole
CID 164783663
14-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 130394114

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole?
The IUPAC name of 2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole (CID 170942090) is 2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole?
The canonical SMILES for 2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole is c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole?
The InChIKey is GZHQOLIYFYYJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-2-12-33(13-3-1)34-22-24-36(25-23-34)49-51-47-20-10-11-21-48(47)52(49)38-29-26-35(27-30-38)37-28-31-42-41-16-6-9-19-45(41)50(46(42)32-37)43-17-7-4-14-39(43)40-15-5-8-18-44(40)50/h1-32H.
What are the key properties of 2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole?
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole has a molecular weight of 660.82 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 170942090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).