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

C61H39N3O2 — CID 154597002

IUPAC2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6ccccc67)n5)c3-4)cccc21
InChIInChI=1S/C61H39N3O2/c1-60(2)45-25-8-6-20-41(45)54-38(21-15-28-48(54)60)37-33-34-42-50(35-37)61(46-26-9-12-31-52(46)65-53-32-13-10-27-47(53)61)49-29-16-23-43(55(42)49)58-62-57(36-17-4-3-5-18-36)63-59(64-58)44-24-14-22-40-39-19-7-11-30-51(39)66-56(40)44/h3-35H,1-2H3
InChIKeyDEVDSLLLSAVWJW-UHFFFAOYSA-N
MW846.00 g/mol
LogP15.21
Rot. Bonds4

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

2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine (PubChem CID 154597002) has the molecular formula C61H39N3O2 and a molecular weight of 846.00 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine
PubChem CID154597002
Molecular FormulaC61H39N3O2
Molecular Weight846.00 g/mol
Exact Mass845.30
IUPAC Name2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6ccccc67)n5)c3-4)cccc21
InChIInChI=1S/C61H39N3O2/c1-60(2)45-25-8-6-20-41(45)54-38(21-15-28-48(54)60)37-33-34-42-50(35-37)61(46-26-9-12-31-52(46)65-53-32-13-10-27-47(53)61)49-29-16-23-43(55(42)49)58-62-57(36-17-4-3-5-18-36)63-59(64-58)44-24-14-22-40-39-19-7-11-30-51(39)66-56(40)44/h3-35H,1-2H3
InChIKeyDEVDSLLLSAVWJW-UHFFFAOYSA-N
XLogP15.21
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.00
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-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-(7-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-4-yl)-6-phenyl-1,3,5-triazine
CID 154597028
2-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 147172045
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-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 167349084
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 140947298
2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575396
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-4-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 163722248
2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 130232494
4-(4-dibenzofuran-4-ylphenyl)-2-[4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-3'-yl)phenyl]-6-phenylpyrimidine
CID 167178156
2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine
CID 138575270
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 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) is 2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6ccccc67)n5)c3-4)cccc21.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is DEVDSLLLSAVWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3O2/c1-60(2)45-25-8-6-20-41(45)54-38(21-15-28-48(54)60)37-33-34-42-50(35-37)61(46-26-9-12-31-52(46)65-53-32-13-10-27-47(53)61)49-29-16-23-43(55(42)49)58-62-57(36-17-4-3-5-18-36)63-59(64-58)44-24-14-22-40-39-19-7-11-30-51(39)66-56(40)44/h3-35H,1-2H3.
What are the key properties of 2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 846.00 g/mol, XLogP of 15.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 154597002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).