2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine

C58H37N3O2 — CID 146321898

IUPAC2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)N=C(c3ccc(-c4cccc5c4oc4ccccc45)cc3)N2)cc1
InChIInChI=1S/C58H37N3O2/c1-2-14-38(15-3-1)55-59-56(39-32-28-36(29-33-39)41-19-12-21-46-45-18-6-10-26-51(45)62-53(41)46)61-57(60-55)40-34-30-37(31-35-40)42-20-13-25-50-54(42)63-52-27-11-9-24-49(52)58(50)47-22-7-4-16-43(47)44-17-5-8-23-48(44)58/h1-35,57H,(H,59,60,61)
InChIKeyPQGBMOHIQXAXEW-UHFFFAOYSA-N
MW807.95 g/mol
LogP13.88
Rot. Bonds5

About 2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine

2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 146321898) has the molecular formula C58H37N3O2 and a molecular weight of 807.95 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine
PubChem CID146321898
Molecular FormulaC58H37N3O2
Molecular Weight807.95 g/mol
Exact Mass807.29
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)N=C(c3ccc(-c4cccc5c4oc4ccccc45)cc3)N2)cc1
InChIInChI=1S/C58H37N3O2/c1-2-14-38(15-3-1)55-59-56(39-32-28-36(29-33-39)41-19-12-21-46-45-18-6-10-26-51(45)62-53(41)46)61-57(60-55)40-34-30-37(31-35-40)42-20-13-25-50-54(42)63-52-27-11-9-24-49(52)58(50)47-22-7-4-16-43(47)44-17-5-8-23-48(44)58/h1-35,57H,(H,59,60,61)
InChIKeyPQGBMOHIQXAXEW-UHFFFAOYSA-N
XLogP13.88
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.95
LogP ≤ 513.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]spiro[benzo[c]fluorene-7,9'-xanthene]-4'-yl]aniline
CID 163850407
2,4-diphenyl-6-(5-spiro[fluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)-1,4-dihydro-1,3,5-triazine
CID 155443117
4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 167348949
2-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
CID 139476231
2-phenyl-4-[6-[4-[4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine
CID 166710660
4-(4-phenanthren-9-ylphenyl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931849
4-phenyl-2-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 146322023
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 140947298
2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 167349084
2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine
CID 167349465
2,4-diphenyl-6-[8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine;hydroiodide
CID 156734683
4'-[3-[3-dibenzofuran-4-yl-1-(4-phenylphenyl)propyl]phenyl]spiro[fluorene-9,9'-xanthene]
CID 123642938

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine (CID 146321898) is 2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)N=C(c3ccc(-c4cccc5c4oc4ccccc45)cc3)N2)cc1.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is PQGBMOHIQXAXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O2/c1-2-14-38(15-3-1)55-59-56(39-32-28-36(29-33-39)41-19-12-21-46-45-18-6-10-26-51(45)62-53(41)46)61-57(60-55)40-34-30-37(31-35-40)42-20-13-25-50-54(42)63-52-27-11-9-24-49(52)58(50)47-22-7-4-16-43(47)44-17-5-8-23-48(44)58/h1-35,57H,(H,59,60,61).
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine?
2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 807.95 g/mol, XLogP of 13.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 146321898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).