2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine

C50H33N3O — CID 176587483

IUPAC2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)n3)cc21
InChIInChI=1S/C50H33N3O/c1-50(2)43-20-9-7-17-38(43)39-24-22-31(28-44(39)50)47-51-48(32-23-25-41-40-18-8-10-21-45(40)54-46(41)29-32)53-49(52-47)42-27-26-37(35-15-5-6-16-36(35)42)34-19-11-13-30-12-3-4-14-33(30)34/h3-29H,1-2H3
InChIKeyZUISCBASENVUKB-UHFFFAOYSA-N
MW691.83 g/mol
LogP13.05
Rot. Bonds4

About 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 176587483) has the molecular formula C50H33N3O and a molecular weight of 691.83 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID176587483
Molecular FormulaC50H33N3O
Molecular Weight691.83 g/mol
Exact Mass691.26
IUPAC Name2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)n3)cc21
InChIInChI=1S/C50H33N3O/c1-50(2)43-20-9-7-17-38(43)39-24-22-31(28-44(39)50)47-51-48(32-23-25-41-40-18-8-10-21-45(40)54-46(41)29-32)53-49(52-47)42-27-26-37(35-15-5-6-16-36(35)42)34-19-11-13-30-12-3-4-14-33(30)34/h3-29H,1-2H3
InChIKeyZUISCBASENVUKB-UHFFFAOYSA-N
XLogP13.05
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.83
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-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-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681249
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176588323
2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine
CID 130232493
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153369481
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine
CID 134529294
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-4-yl-1,3,5-triazine
CID 169278835
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine
CID 163592241
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171603523
7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole
CID 142570942
2-dibenzofuran-3-yl-4,6-diphenylpyrimidine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158848714
2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-5-yl)-4-(9,9-dimethylfluoren-2-yl)-6-picen-4-yl-1,3,5-triazine
CID 176587100

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine (CID 176587483) is 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)n3)cc21.
What is the InChIKey of 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is ZUISCBASENVUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3O/c1-50(2)43-20-9-7-17-38(43)39-24-22-31(28-44(39)50)47-51-48(32-23-25-41-40-18-8-10-21-45(40)54-46(41)29-32)53-49(52-47)42-27-26-37(35-15-5-6-16-36(35)42)34-19-11-13-30-12-3-4-14-33(30)34/h3-29H,1-2H3.
What are the key properties of 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 691.83 g/mol, XLogP of 13.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 176587483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).