10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-xanthene]

C64H40N4O2 — CID 121382487

IUPAC10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-xanthene]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(-c4ccccc4)ccc2N3c2cccc3c2oc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)cc1
InChIInChI=1S/C64H40N4O2/c1-5-19-41(20-6-1)45-35-37-54-52(39-45)64(50-30-13-15-33-57(50)69-58-34-16-14-31-51(58)64)53-40-46(42-21-7-2-8-22-42)36-38-55(53)68(54)56-32-18-28-48-47-27-17-29-49(59(47)70-60(48)56)63-66-61(43-23-9-3-10-24-43)65-62(67-63)44-25-11-4-12-26-44/h1-40H
InChIKeyFEZVVAJNUKCCEB-UHFFFAOYSA-N
MW897.05 g/mol
LogP16.38
Rot. Bonds6

About 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-xanthene]

10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-xanthene] (PubChem CID 121382487) has the molecular formula C64H40N4O2 and a molecular weight of 897.05 g/mol. Its IUPAC name is 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-xanthene].

Molecular Properties

Compound Name10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-xanthene]
PubChem CID121382487
Molecular FormulaC64H40N4O2
Molecular Weight897.05 g/mol
Exact Mass896.32
IUPAC Name10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-xanthene]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(-c4ccccc4)ccc2N3c2cccc3c2oc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)cc1
InChIInChI=1S/C64H40N4O2/c1-5-19-41(20-6-1)45-35-37-54-52(39-45)64(50-30-13-15-33-57(50)69-58-34-16-14-31-51(58)64)53-40-46(42-21-7-2-8-22-42)36-38-55(53)68(54)56-32-18-28-48-47-27-17-29-49(59(47)70-60(48)56)63-66-61(43-23-9-3-10-24-43)65-62(67-63)44-25-11-4-12-26-44/h1-40H
InChIKeyFEZVVAJNUKCCEB-UHFFFAOYSA-N
XLogP16.38
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.05
LogP ≤ 516.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(5,15-diphenylspiro[tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene-2,9'-xanthene]-9-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 123477866
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-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]
CID 146654706
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
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-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine
CID 154596998
2-phenyl-4-(3-phenylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571369
4-(4-dibenzofuran-4-ylphenyl)-2-[4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-3'-yl)phenyl]-6-phenylpyrimidine
CID 167178156
2-dibenzofuran-4-yl-4-(7-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-4-yl)-6-phenyl-1,3,5-triazine
CID 154597028
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297

Frequently Asked Questions

What is the IUPAC name of 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-xanthene]?
The IUPAC name of 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-xanthene] (CID 121382487) is 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-xanthene].
What is the SMILES notation for 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-xanthene]?
The canonical SMILES for 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-xanthene] is c1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(-c4ccccc4)ccc2N3c2cccc3c2oc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)cc1.
What is the InChIKey of 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-xanthene]?
The InChIKey is FEZVVAJNUKCCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N4O2/c1-5-19-41(20-6-1)45-35-37-54-52(39-45)64(50-30-13-15-33-57(50)69-58-34-16-14-31-51(58)64)53-40-46(42-21-7-2-8-22-42)36-38-55(53)68(54)56-32-18-28-48-47-27-17-29-49(59(47)70-60(48)56)63-66-61(43-23-9-3-10-24-43)65-62(67-63)44-25-11-4-12-26-44/h1-40H.
What are the key properties of 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-xanthene]?
10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-xanthene] has a molecular weight of 897.05 g/mol, XLogP of 16.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-xanthene] is sourced from PubChem (CID 121382487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).