2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine

C48H31N3O2 — CID 167349594

IUPAC2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)cccc21
InChIInChI=1S/C48H31N3O2/c1-48(2)38-24-8-5-18-35(38)42-31(19-13-25-39(42)48)28-14-3-4-17-34(28)45-49-46(36-22-11-20-32-29-15-6-9-26-40(29)52-43(32)36)51-47(50-45)37-23-12-21-33-30-16-7-10-27-41(30)53-44(33)37/h3-27H,1-2H3
InChIKeyFMIURESRMSABOG-UHFFFAOYSA-N
MW681.80 g/mol
LogP12.64
Rot. Bonds4

About 2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine

2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine (PubChem CID 167349594) has the molecular formula C48H31N3O2 and a molecular weight of 681.80 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine
PubChem CID167349594
Molecular FormulaC48H31N3O2
Molecular Weight681.80 g/mol
Exact Mass681.24
IUPAC Name2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)cccc21
InChIInChI=1S/C48H31N3O2/c1-48(2)38-24-8-5-18-35(38)42-31(19-13-25-39(42)48)28-14-3-4-17-34(28)45-49-46(36-22-11-20-32-29-15-6-9-26-40(29)52-43(32)36)51-47(50-45)37-23-12-21-33-30-16-7-10-27-41(30)53-44(33)37/h3-27H,1-2H3
InChIKeyFMIURESRMSABOG-UHFFFAOYSA-N
XLogP12.64
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.80
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine with MolForge

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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-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine
CID 165160159
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
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170139869
4-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171582882
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-(9,9-dimethylfluoren-2-yl)-6-phenanthren-4-yl-1,3,5-triazine
CID 169278835
4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran
CID 59195028
12-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014822
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-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602751

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine (CID 167349594) is 2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3ccccc3-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)cccc21.
What is the InChIKey of 2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine?
The InChIKey is FMIURESRMSABOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3O2/c1-48(2)38-24-8-5-18-35(38)42-31(19-13-25-39(42)48)28-14-3-4-17-34(28)45-49-46(36-22-11-20-32-29-15-6-9-26-40(29)52-43(32)36)51-47(50-45)37-23-12-21-33-30-16-7-10-27-41(30)53-44(33)37/h3-27H,1-2H3.
What are the key properties of 2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine?
2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine has a molecular weight of 681.80 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 167349594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).