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

C53H33N5 — CID 118688206

IUPAC1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc43)n2)cc1
InChIInChI=1S/C53H33N5/c1-4-16-34(17-5-1)49-55-50(35-18-6-2-7-19-35)57-51(56-49)37-28-30-41-39-22-10-12-24-43(39)53(45(41)32-37)44-25-13-11-23-40(44)42-31-29-38(33-46(42)53)58-48-27-15-14-26-47(48)54-52(58)36-20-8-3-9-21-36/h1-33H
InChIKeySTPUKGRGRUTNTH-UHFFFAOYSA-N
MW739.88 g/mol
LogP12.22
Rot. Bonds5

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

1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole (PubChem CID 118688206) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
PubChem CID118688206
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc43)n2)cc1
InChIInChI=1S/C53H33N5/c1-4-16-34(17-5-1)49-55-50(35-18-6-2-7-19-35)57-51(56-49)37-28-30-41-39-22-10-12-24-43(39)53(45(41)32-37)44-25-13-11-23-40(44)42-31-29-38(33-46(42)53)58-48-27-15-14-26-47(48)54-52(58)36-20-8-3-9-21-36/h1-33H
InChIKeySTPUKGRGRUTNTH-UHFFFAOYSA-N
XLogP12.22
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole
CID 118688226
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
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
ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole
CID 153297888
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
2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole
CID 130287427
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline
CID 158500862
1-naphthalen-2-yl-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 134528322

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole?
The IUPAC name of 1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole (CID 118688206) is 1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc43)n2)cc1.
What is the InChIKey of 1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole?
The InChIKey is STPUKGRGRUTNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-4-16-34(17-5-1)49-55-50(35-18-6-2-7-19-35)57-51(56-49)37-28-30-41-39-22-10-12-24-43(39)53(45(41)32-37)44-25-13-11-23-40(44)42-31-29-38(33-46(42)53)58-48-27-15-14-26-47(48)54-52(58)36-20-8-3-9-21-36/h1-33H.
What are the key properties of 1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole?
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole has a molecular weight of 739.88 g/mol, XLogP of 12.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole is sourced from PubChem (CID 118688206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).