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

C61H41N3O — CID 147435400

IUPAC2-(6'-dibenzofuran-2-yl-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3-c3c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cccc32)c2ccccc21
InChIInChI=1S/C61H41N3O/c1-60(2)49-22-10-12-24-51(49)61(52-25-13-11-23-50(52)60)48-34-32-42(43-33-35-55-46(36-43)44-20-9-14-27-54(44)65-55)37-47(48)56-45(21-15-26-53(56)61)59-63-57(40-18-7-4-8-19-40)62-58(64-59)41-30-28-39(29-31-41)38-16-5-3-6-17-38/h3-37H,1-2H3
InChIKeyDVDZOFLIXKITSQ-UHFFFAOYSA-N
MW832.02 g/mol
LogP15.11
Rot. Bonds5

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

2-(6'-dibenzofuran-2-yl-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 147435400) has the molecular formula C61H41N3O and a molecular weight of 832.02 g/mol. Its IUPAC name is 2-(6'-dibenzofuran-2-yl-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(6'-dibenzofuran-2-yl-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID147435400
Molecular FormulaC61H41N3O
Molecular Weight832.02 g/mol
Exact Mass831.32
IUPAC Name2-(6'-dibenzofuran-2-yl-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3-c3c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cccc32)c2ccccc21
InChIInChI=1S/C61H41N3O/c1-60(2)49-22-10-12-24-51(49)61(52-25-13-11-23-50(52)60)48-34-32-42(43-33-35-55-46(36-43)44-20-9-14-27-54(44)65-55)37-47(48)56-45(21-15-26-53(56)61)59-63-57(40-18-7-4-8-19-40)62-58(64-59)41-30-28-39(29-31-41)38-16-5-3-6-17-38/h3-37H,1-2H3
InChIKeyDVDZOFLIXKITSQ-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-(6'-dibenzofuran-2-yl-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(4-phenylphenyl)-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

2-dibenzofuran-4-yl-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine
CID 167348962
2-[9,9-dimethyl-6'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine
CID 153293179
2-(6-dibenzofuran-1-yl-9,9-dimethylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 118507911
2-(9,9-dimethyl-6'-phenanthren-9-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 153293234
2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-4-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 126544530
2-dibenzofuran-2-yl-4-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 163722248
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 153302614
2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 165029905
2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369020
2-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-yl-1,3,5-triazine
CID 134529288
4-dibenzofuran-4-yl-2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)pyrimidine
CID 167349016
2-dibenzofuran-2-yl-9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-2-yl-9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 158529955

Frequently Asked Questions

What is the IUPAC name of 2-(6'-dibenzofuran-2-yl-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 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) is 2-(6'-dibenzofuran-2-yl-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(6'-dibenzofuran-2-yl-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(6'-dibenzofuran-2-yl-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2C2(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3-c3c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cccc32)c2ccccc21.
What is the InChIKey of 2-(6'-dibenzofuran-2-yl-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is DVDZOFLIXKITSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N3O/c1-60(2)49-22-10-12-24-51(49)61(52-25-13-11-23-50(52)60)48-34-32-42(43-33-35-55-46(36-43)44-20-9-14-27-54(44)65-55)37-47(48)56-45(21-15-26-53(56)61)59-63-57(40-18-7-4-8-19-40)62-58(64-59)41-30-28-39(29-31-41)38-16-5-3-6-17-38/h3-37H,1-2H3.
What are the key properties of 2-(6'-dibenzofuran-2-yl-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-(6'-dibenzofuran-2-yl-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(4-phenylphenyl)-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-(6'-dibenzofuran-2-yl-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 147435400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).