6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole

C59H37N5 — CID 118688136

IUPAC6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c(-c5ccc6nc(-c7ccccc7)n(-c7ccccc7)c6c5)cccc43)n2)cc1
InChIInChI=1S/C59H37N5/c1-5-19-38(20-6-1)55-61-56(39-21-7-2-8-22-39)63-57(62-55)46-30-18-34-50-54(46)45-28-14-16-32-48(45)59(50)47-31-15-13-27-44(47)53-43(29-17-33-49(53)59)41-35-36-51-52(37-41)64(42-25-11-4-12-26-42)58(60-51)40-23-9-3-10-24-40/h1-37H
InChIKeyQBNNKBFXTOAKKJ-UHFFFAOYSA-N
MW815.98 g/mol
LogP13.89
Rot. Bonds6

About 6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole

6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole (PubChem CID 118688136) has the molecular formula C59H37N5 and a molecular weight of 815.98 g/mol. Its IUPAC name is 6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole.

Molecular Properties

Compound Name6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole
PubChem CID118688136
Molecular FormulaC59H37N5
Molecular Weight815.98 g/mol
Exact Mass815.30
IUPAC Name6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c(-c5ccc6nc(-c7ccccc7)n(-c7ccccc7)c6c5)cccc43)n2)cc1
InChIInChI=1S/C59H37N5/c1-5-19-38(20-6-1)55-61-56(39-21-7-2-8-22-39)63-57(62-55)46-30-18-34-50-54(46)45-28-14-16-32-48(45)59(50)47-31-15-13-27-44(47)53-43(29-17-33-49(53)59)41-35-36-51-52(37-41)64(42-25-11-4-12-26-42)58(60-51)40-23-9-3-10-24-40/h1-37H
InChIKeyQBNNKBFXTOAKKJ-UHFFFAOYSA-N
XLogP13.89
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.98
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole
CID 146495716
15-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
CID 129262820
2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 148942600
2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1-phenylbenzimidazole
CID 153208521
19-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4'-[3-[4-phenyl-6-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl)-1,3,5-triazin-2-yl]phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]
CID 156560261
2-[3-(4-bromo-9,9'-spirobi[fluorene]-4'-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 130287426
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 139521250
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688206
2,4-diphenyl-6-[3-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614290
4'-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521327
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl-1,3,5-triazine
CID 153287675

Frequently Asked Questions

What is the IUPAC name of 6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole?
The IUPAC name of 6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole (CID 118688136) is 6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole.
What is the SMILES notation for 6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole?
The canonical SMILES for 6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c(-c5ccc6nc(-c7ccccc7)n(-c7ccccc7)c6c5)cccc43)n2)cc1.
What is the InChIKey of 6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole?
The InChIKey is QBNNKBFXTOAKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5/c1-5-19-38(20-6-1)55-61-56(39-21-7-2-8-22-39)63-57(62-55)46-30-18-34-50-54(46)45-28-14-16-32-48(45)59(50)47-31-15-13-27-44(47)53-43(29-17-33-49(53)59)41-35-36-51-52(37-41)64(42-25-11-4-12-26-42)58(60-51)40-23-9-3-10-24-40/h1-37H.
What are the key properties of 6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole?
6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole has a molecular weight of 815.98 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole is sourced from PubChem (CID 118688136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).