2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine

C57H36N4O — CID 167178347

IUPAC2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7cccc(-c8ccccn8)c7)ccc6O5)c5ccccc5-c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C57H36N4O/c1-3-14-38(15-4-1)54-59-55(39-16-5-2-6-17-39)61-56(60-54)40-27-25-37(26-28-40)42-29-31-52-49(35-42)57(47-22-9-7-20-45(47)46-21-8-10-23-48(46)57)50-36-43(30-32-53(50)62-52)41-18-13-19-44(34-41)51-24-11-12-33-58-51/h1-36H
InChIKeyWLMNUHMOUSEFTJ-UHFFFAOYSA-N
MW792.94 g/mol
LogP13.74
Rot. Bonds6

About 2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine (PubChem CID 167178347) has the molecular formula C57H36N4O and a molecular weight of 792.94 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
PubChem CID167178347
Molecular FormulaC57H36N4O
Molecular Weight792.94 g/mol
Exact Mass792.29
IUPAC Name2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7cccc(-c8ccccn8)c7)ccc6O5)c5ccccc5-c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C57H36N4O/c1-3-14-38(15-4-1)54-59-55(39-16-5-2-6-17-39)61-56(60-54)40-27-25-37(26-28-40)42-29-31-52-49(35-42)57(47-22-9-7-20-45(47)46-21-8-10-23-48(46)57)50-36-43(30-32-53(50)62-52)41-18-13-19-44(34-41)51-24-11-12-33-58-51/h1-36H
InChIKeyWLMNUHMOUSEFTJ-UHFFFAOYSA-N
XLogP13.74
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
4,6-diphenyl-2-[4-[7-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]pyrimidine
CID 167177967
2-phenyl-4-(3-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 130380047
2-phenyl-4-[3-[6-[4-[4-(3-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 139307625
4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 155443385
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969
2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
CID 146549517
2-phenyl-4-(3-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379672
2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 167178462
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378933
4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947343
4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine
CID 167178504

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine (CID 167178347) is 2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7cccc(-c8ccccn8)c7)ccc6O5)c5ccccc5-c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine?
The InChIKey is WLMNUHMOUSEFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O/c1-3-14-38(15-4-1)54-59-55(39-16-5-2-6-17-39)61-56(60-54)40-27-25-37(26-28-40)42-29-31-52-49(35-42)57(47-22-9-7-20-45(47)46-21-8-10-23-48(46)57)50-36-43(30-32-53(50)62-52)41-18-13-19-44(34-41)51-24-11-12-33-58-51/h1-36H.
What are the key properties of 2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine has a molecular weight of 792.94 g/mol, XLogP of 13.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 167178347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).