1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole

C65H41N5 — CID 118688264

IUPAC1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-3)c3ccccc3-c3c(-c4nc(-c5ccccc5)nc(-c5cccc(-n6c(-c7ccccc7)nc7ccccc76)c5)n4)cccc32)cc1
InChIInChI=1S/C65H41N5/c1-5-19-42(20-6-1)46-35-37-50-51-38-36-47(43-21-7-2-8-22-43)41-57(51)65(56(50)40-46)54-31-14-13-29-52(54)60-53(30-18-32-55(60)65)63-68-61(44-23-9-3-10-24-44)67-62(69-63)48-27-17-28-49(39-48)70-59-34-16-15-33-58(59)66-64(70)45-25-11-4-12-26-45/h1-41H
InChIKeyVZXBNVCNLFCMNT-UHFFFAOYSA-N
MW892.08 g/mol
LogP15.56
Rot. Bonds7

About 1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole

1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole (PubChem CID 118688264) has the molecular formula C65H41N5 and a molecular weight of 892.08 g/mol. Its IUPAC name is 1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
PubChem CID118688264
Molecular FormulaC65H41N5
Molecular Weight892.08 g/mol
Exact Mass891.34
IUPAC Name1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-3)c3ccccc3-c3c(-c4nc(-c5ccccc5)nc(-c5cccc(-n6c(-c7ccccc7)nc7ccccc76)c5)n4)cccc32)cc1
InChIInChI=1S/C65H41N5/c1-5-19-42(20-6-1)46-35-37-50-51-38-36-47(43-21-7-2-8-22-43)41-57(51)65(56(50)40-46)54-31-14-13-29-52(54)60-53(30-18-32-55(60)65)63-68-61(44-23-9-3-10-24-44)67-62(69-63)48-27-17-28-49(39-48)70-59-34-16-15-33-58(59)66-64(70)45-25-11-4-12-26-45/h1-41H
InChIKeyVZXBNVCNLFCMNT-UHFFFAOYSA-N
XLogP15.56
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.08
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688206
1-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7-diphenyl-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688194
2-phenyl-1-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]benzimidazole
CID 118688255
6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole
CID 118688136
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole
CID 118688226
2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane
CID 160785329
2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole
CID 130287427
2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 160879933
ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948
2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
CID 118688217
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 1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole?
The IUPAC name of 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) is 1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole is c1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-3)c3ccccc3-c3c(-c4nc(-c5ccccc5)nc(-c5cccc(-n6c(-c7ccccc7)nc7ccccc76)c5)n4)cccc32)cc1.
What is the InChIKey of 1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole?
The InChIKey is VZXBNVCNLFCMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N5/c1-5-19-42(20-6-1)46-35-37-50-51-38-36-47(43-21-7-2-8-22-43)41-57(51)65(56(50)40-46)54-31-14-13-29-52(54)60-53(30-18-32-55(60)65)63-68-61(44-23-9-3-10-24-44)67-62(69-63)48-27-17-28-49(39-48)70-59-34-16-15-33-58(59)66-64(70)45-25-11-4-12-26-45/h1-41H.
What are the key properties of 1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole?
1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole has a molecular weight of 892.08 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 118688264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).