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

C59H37N5O — CID 148942600

IUPAC2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cccc4oc5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5c34)n2)cc1
InChIInChI=1S/C59H37N5O/c1-5-19-38(20-6-1)55-61-56(44-28-17-31-48-53(44)43-27-13-14-30-47(43)59(48,40-21-7-2-8-22-40)41-23-9-3-10-24-41)63-57(62-55)45-29-18-34-52-54(45)46-37-39(35-36-51(46)65-52)58-60-49-32-15-16-33-50(49)64(58)42-25-11-4-12-26-42/h1-37H
InChIKeyPOEYRNSYKYEWME-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-2-yl]-1-phenylbenzimidazole

2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole (PubChem CID 148942600) 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-2-yl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole
PubChem CID148942600
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-2-yl]-1-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cccc4oc5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5c34)n2)cc1
InChIInChI=1S/C59H37N5O/c1-5-19-38(20-6-1)55-61-56(44-28-17-31-48-53(44)43-27-13-14-30-47(43)59(48,40-21-7-2-8-22-40)41-23-9-3-10-24-41)63-57(62-55)45-29-18-34-52-54(45)46-37-39(35-36-51(46)65-52)58-60-49-32-15-16-33-50(49)64(58)42-25-11-4-12-26-42/h1-37H
InChIKeyPOEYRNSYKYEWME-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1-phenylbenzimidazole
CID 153208521
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(1-phenylbenzimidazol-2-yl)carbazole
CID 129292117
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-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 147448263
2-[8-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166002904
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)carbazole
CID 129291968
2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153369287
2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002837
2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 146917038
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002661
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-2-yl]-1-phenylbenzimidazole?
The IUPAC name of 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole (CID 148942600) is 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-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-2-yl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole is c1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cccc4oc5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5c34)n2)cc1.
What is the InChIKey of 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole?
The InChIKey is POEYRNSYKYEWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5O/c1-5-19-38(20-6-1)55-61-56(44-28-17-31-48-53(44)43-27-13-14-30-47(43)59(48,40-21-7-2-8-22-40)41-23-9-3-10-24-41)63-57(62-55)45-29-18-34-52-54(45)46-37-39(35-36-51(46)65-52)58-60-49-32-15-16-33-50(49)64(58)42-25-11-4-12-26-42/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-2-yl]-1-phenylbenzimidazole?
2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-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-2-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 148942600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).