2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenyl-1,3,4-oxadiazole

C48H29N5O2 — CID 153297911

IUPAC2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3ccc(-c5nnc(-c6ccccc6)o5)cc3-4)n2)cc1
InChIInChI=1S/C48H29N5O2/c1-4-15-30(16-5-1)43-49-44(31-17-6-2-7-18-31)51-45(50-43)35-22-14-21-34-36-29-33(47-53-52-46(55-47)32-19-8-3-9-20-32)27-28-37(36)48(42(34)35)38-23-10-12-25-40(38)54-41-26-13-11-24-39(41)48/h1-29H
InChIKeyDCKPJUNEMAPNJR-UHFFFAOYSA-N
MW707.79 g/mol
LogP11.06
Rot. Bonds5

About 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenyl-1,3,4-oxadiazole

2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 153297911) has the molecular formula C48H29N5O2 and a molecular weight of 707.79 g/mol. Its IUPAC name is 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID153297911
Molecular FormulaC48H29N5O2
Molecular Weight707.79 g/mol
Exact Mass707.23
IUPAC Name2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3ccc(-c5nnc(-c6ccccc6)o5)cc3-4)n2)cc1
InChIInChI=1S/C48H29N5O2/c1-4-15-30(16-5-1)43-49-44(31-17-6-2-7-18-31)51-45(50-43)35-22-14-21-34-36-29-33(47-53-52-46(55-47)32-19-8-3-9-20-32)27-28-37(36)48(42(34)35)38-23-10-12-25-40(38)54-41-26-13-11-24-39(41)48/h1-29H
InChIKeyDCKPJUNEMAPNJR-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-[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-[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
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
2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine
CID 154596998
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 153297812
2,4-diphenyl-6-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine
CID 153297678
2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine
CID 154596947
2-phenyl-5-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,4-oxadiazole
CID 140947158
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 146689000
2-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297762
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-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297722

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 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) is 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3ccc(-c5nnc(-c6ccccc6)o5)cc3-4)n2)cc1.
What is the InChIKey of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is DCKPJUNEMAPNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5O2/c1-4-15-30(16-5-1)43-49-44(31-17-6-2-7-18-31)51-45(50-43)35-22-14-21-34-36-29-33(47-53-52-46(55-47)32-19-8-3-9-20-32)27-28-37(36)48(42(34)35)38-23-10-12-25-40(38)54-41-26-13-11-24-39(41)48/h1-29H.
What are the key properties of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenyl-1,3,4-oxadiazole?
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-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-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 153297911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).