2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1-phenylbenzimidazole

C59H37N5O — CID 153208521

IUPAC2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cccc4oc5cccc(-c6nc7ccccc7n6-c6ccccc6)c5c34)n2)cc1
InChIInChI=1S/C59H37N5O/c1-5-20-38(21-6-1)55-61-56(43-29-17-33-47-52(43)42-28-13-14-32-46(42)59(47,39-22-7-2-8-23-39)40-24-9-3-10-25-40)63-57(62-55)44-30-18-36-50-53(44)54-45(31-19-37-51(54)65-50)58-60-48-34-15-16-35-49(48)64(58)41-26-11-4-12-27-41/h1-37H
InChIKeyWLHROIPDZYZJGG-UHFFFAOYSA-N
MW831.98 g/mol
LogP14.14
Rot. Bonds7

About 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1-phenylbenzimidazole

2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1-phenylbenzimidazole (PubChem CID 153208521) has the molecular formula C59H37N5O and a molecular weight of 831.98 g/mol. Its IUPAC name is 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1-phenylbenzimidazole
PubChem CID153208521
Molecular FormulaC59H37N5O
Molecular Weight831.98 g/mol
Exact Mass831.30
IUPAC Name2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cccc4oc5cccc(-c6nc7ccccc7n6-c6ccccc6)c5c34)n2)cc1
InChIInChI=1S/C59H37N5O/c1-5-20-38(21-6-1)55-61-56(43-29-17-33-47-52(43)42-28-13-14-32-46(42)59(47,39-22-7-2-8-23-39)40-24-9-3-10-25-40)63-57(62-55)44-30-18-36-50-53(44)54-45(31-19-37-51(54)65-50)58-60-48-34-15-16-35-49(48)64(58)41-26-11-4-12-27-41/h1-37H
InChIKeyWLHROIPDZYZJGG-UHFFFAOYSA-N
XLogP14.14
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.98
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 148942600
2-[(E)-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-1H-dibenzofuran-2-ylidene]methyl]-1-phenylbenzimidazole
CID 167250550
9-phenyl-2-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole
CID 147645952
9-[4-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 157395977
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
6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole
CID 118688136
9-[4-[4-(9,9-diphenylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126543721
2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole
CID 149367875
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166002825
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153368921
2-[2-(4-dibenzofuran-1-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzimidazole
CID 171812854
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

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1-phenylbenzimidazole?
The IUPAC name of 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1-phenylbenzimidazole (CID 153208521) is 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1-phenylbenzimidazole is c1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cccc4oc5cccc(-c6nc7ccccc7n6-c6ccccc6)c5c34)n2)cc1.
What is the InChIKey of 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1-phenylbenzimidazole?
The InChIKey is WLHROIPDZYZJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5O/c1-5-20-38(21-6-1)55-61-56(43-29-17-33-47-52(43)42-28-13-14-32-46(42)59(47,39-22-7-2-8-23-39)40-24-9-3-10-25-40)63-57(62-55)44-30-18-36-50-53(44)54-45(31-19-37-51(54)65-50)58-60-48-34-15-16-35-49(48)64(58)41-26-11-4-12-27-41/h1-37H.
What are the key properties of 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1-phenylbenzimidazole?
2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1-phenylbenzimidazole has a molecular weight of 831.98 g/mol, XLogP of 14.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 153208521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).