2-dibenzofuran-4-yl-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine

C61H41N3O — CID 167348962

IUPAC2-dibenzofuran-4-yl-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4nc(-c5ccc(-c6ccccc6)cc5-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)cccc32)c2ccccc21
InChIInChI=1S/C61H41N3O/c1-60(2)49-29-12-14-31-51(49)61(52-32-15-13-30-50(52)60)48-28-11-9-24-44(48)55-45(26-18-33-53(55)61)58-62-57(63-59(64-58)46-27-17-25-42-41-23-10-16-34-54(41)65-56(42)46)43-36-35-40(38-19-5-3-6-20-38)37-47(43)39-21-7-4-8-22-39/h3-37H,1-2H3
InChIKeyZSMYJNYAYVSGEG-UHFFFAOYSA-N
MW832.02 g/mol
LogP15.11
Rot. Bonds5

About 2-dibenzofuran-4-yl-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine (PubChem CID 167348962) has the molecular formula C61H41N3O and a molecular weight of 832.02 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine
PubChem CID167348962
Molecular FormulaC61H41N3O
Molecular Weight832.02 g/mol
Exact Mass831.32
IUPAC Name2-dibenzofuran-4-yl-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4nc(-c5ccc(-c6ccccc6)cc5-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)cccc32)c2ccccc21
InChIInChI=1S/C61H41N3O/c1-60(2)49-29-12-14-31-51(49)61(52-32-15-13-30-50(52)60)48-28-11-9-24-44(48)55-45(26-18-33-53(55)61)58-62-57(63-59(64-58)46-27-17-25-42-41-23-10-16-34-54(41)65-56(42)46)43-36-35-40(38-19-5-3-6-20-38)37-47(43)39-21-7-4-8-22-39/h3-37H,1-2H3
InChIKeyZSMYJNYAYVSGEG-UHFFFAOYSA-N
XLogP15.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.02
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzofuran-4-yl-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-dibenzofuran-4-yl-2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)pyrimidine
CID 167349016
2-(6'-dibenzofuran-2-yl-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 147435400
2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine
CID 154597002
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl-1,3,5-triazine
CID 153288093
2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine
CID 167349594
2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167348928
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368965
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
2-dibenzofuran-4-yl-4-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166025643
2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602751
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171585452
2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)-1,3,5-triazine
CID 155278995

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine (CID 167348962) is 2-dibenzofuran-4-yl-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4nc(-c5ccc(-c6ccccc6)cc5-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)cccc32)c2ccccc21.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine?
The InChIKey is ZSMYJNYAYVSGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N3O/c1-60(2)49-29-12-14-31-51(49)61(52-32-15-13-30-50(52)60)48-28-11-9-24-44(48)55-45(26-18-33-53(55)61)58-62-57(63-59(64-58)46-27-17-25-42-41-23-10-16-34-54(41)65-56(42)46)43-36-35-40(38-19-5-3-6-20-38)37-47(43)39-21-7-4-8-22-39/h3-37H,1-2H3.
What are the key properties of 2-dibenzofuran-4-yl-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine has a molecular weight of 832.02 g/mol, XLogP of 15.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167348962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).