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

C48H29N5O2 — CID 146985537

IUPAC2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3cccc(-c5nnc(-c6ccccc6)o5)c3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C48H29N5O2/c1-4-16-30(17-5-1)43-49-44(31-18-6-2-7-19-31)51-45(50-43)34-23-15-27-38-41(34)33-22-14-24-35(47-53-52-46(55-47)32-20-8-3-9-21-32)42(33)48(38)36-25-10-12-28-39(36)54-40-29-13-11-26-37(40)48/h1-29H
InChIKeyAPDXIYPWUQITIJ-UHFFFAOYSA-N
MW707.79 g/mol
LogP11.06
Rot. Bonds5

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

2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 146985537) has the molecular formula C48H29N5O2 and a molecular weight of 707.79 g/mol. Its IUPAC name is 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID146985537
Molecular FormulaC48H29N5O2
Molecular Weight707.79 g/mol
Exact Mass707.23
IUPAC Name2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3cccc(-c5nnc(-c6ccccc6)o5)c3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C48H29N5O2/c1-4-16-30(17-5-1)43-49-44(31-18-6-2-7-19-31)51-45(50-43)34-23-15-27-38-41(34)33-22-14-24-35(47-53-52-46(55-47)32-20-8-3-9-21-32)42(33)48(38)36-25-10-12-28-39(36)54-40-29-13-11-26-37(40)48/h1-29H
InChIKeyAPDXIYPWUQITIJ-UHFFFAOYSA-N
XLogP11.06
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.79
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 153297911
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]quinazoline
CID 153297813
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326888
2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 147868110
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine
CID 153297757
2-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297864
2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 149001752
2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine
CID 154596998
2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326904
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-1'-ylphenyl)-1,3,5-triazine
CID 130379537
2,4-diphenyl-6-[7-(6-phenylpyridazin-3-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 160816404
2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297786

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole (CID 146985537) is 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3cccc(-c5nnc(-c6ccccc6)o5)c3C43c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is APDXIYPWUQITIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5O2/c1-4-16-30(17-5-1)43-49-44(31-18-6-2-7-19-31)51-45(50-43)34-23-15-27-38-41(34)33-22-14-24-35(47-53-52-46(55-47)32-20-8-3-9-21-32)42(33)48(38)36-25-10-12-28-39(36)54-40-29-13-11-26-37(40)48/h1-29H.
What are the key properties of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole?
2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 707.79 g/mol, XLogP of 11.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 146985537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).