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

C53H33N5O — CID 118688226

IUPAC1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-n5c(-c6ccccc6)nc6ccccc65)ccc3-4)n2)cc1
InChIInChI=1S/C53H33N5O/c1-4-16-34(17-5-1)49-55-50(35-18-6-2-7-19-35)57-51(56-49)37-28-30-39-40-31-29-38(58-46-25-13-12-24-45(46)54-52(58)36-20-8-3-9-21-36)33-44(40)53(43(39)32-37)41-22-10-14-26-47(41)59-48-27-15-11-23-42(48)53/h1-33H
InChIKeyXHJHUNCCSTZNPF-UHFFFAOYSA-N
MW755.88 g/mol
LogP12.35
Rot. Bonds5

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

1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole (PubChem CID 118688226) has the molecular formula C53H33N5O and a molecular weight of 755.88 g/mol. Its IUPAC name is 1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole
PubChem CID118688226
Molecular FormulaC53H33N5O
Molecular Weight755.88 g/mol
Exact Mass755.27
IUPAC Name1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-n5c(-c6ccccc6)nc6ccccc65)ccc3-4)n2)cc1
InChIInChI=1S/C53H33N5O/c1-4-16-34(17-5-1)49-55-50(35-18-6-2-7-19-35)57-51(56-49)37-28-30-39-40-31-29-38(58-46-25-13-12-24-45(46)54-52(58)36-20-8-3-9-21-36)33-44(40)53(43(39)32-37)41-22-10-14-26-47(41)59-48-27-15-11-23-42(48)53/h1-33H
InChIKeyXHJHUNCCSTZNPF-UHFFFAOYSA-N
XLogP12.35
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.88
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole
CID 153297888
4-[7-(2-phenylbenzimidazol-1-yl)spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile
CID 155157095
2-phenyl-1-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]benzimidazole
CID 118688255
1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]benzimidazole
CID 164783663
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
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
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 129263263
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297866
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine
CID 153297845

Frequently Asked Questions

What is the IUPAC name of 1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole?
The IUPAC name of 1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole (CID 118688226) is 1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-n5c(-c6ccccc6)nc6ccccc65)ccc3-4)n2)cc1.
What is the InChIKey of 1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole?
The InChIKey is XHJHUNCCSTZNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5O/c1-4-16-34(17-5-1)49-55-50(35-18-6-2-7-19-35)57-51(56-49)37-28-30-39-40-31-29-38(58-46-25-13-12-24-45(46)54-52(58)36-20-8-3-9-21-36)33-44(40)53(43(39)32-37)41-22-10-14-26-47(41)59-48-27-15-11-23-42(48)53/h1-33H.
What are the key properties of 1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole?
1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole has a molecular weight of 755.88 g/mol, XLogP of 12.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole is sourced from PubChem (CID 118688226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).