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

C42H31N3O — CID 166961011

IUPAC4-[6-(9,9-dimethylfluoren-4-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c3oc3c(C5N=C(c6ccccc6)NC(c6ccccc6)=N5)cccc34)cccc21
InChIInChI=1S/C42H31N3O/c1-42(2)34-24-10-9-18-32(34)36-28(19-13-25-35(36)42)29-20-11-21-30-31-22-12-23-33(38(31)46-37(29)30)41-44-39(26-14-5-3-6-15-26)43-40(45-41)27-16-7-4-8-17-27/h3-25,41H,1-2H3,(H,43,44,45)
InChIKeyUKYFRTKVBVLZQF-UHFFFAOYSA-N
MW593.73 g/mol
LogP10.05
Rot. Bonds4

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

4-[6-(9,9-dimethylfluoren-4-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 166961011) has the molecular formula C42H31N3O and a molecular weight of 593.73 g/mol. Its IUPAC name is 4-[6-(9,9-dimethylfluoren-4-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[6-(9,9-dimethylfluoren-4-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID166961011
Molecular FormulaC42H31N3O
Molecular Weight593.73 g/mol
Exact Mass593.25
IUPAC Name4-[6-(9,9-dimethylfluoren-4-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c3oc3c(C5N=C(c6ccccc6)NC(c6ccccc6)=N5)cccc34)cccc21
InChIInChI=1S/C42H31N3O/c1-42(2)34-24-10-9-18-32(34)36-28(19-13-25-35(36)42)29-20-11-21-30-31-22-12-23-33(38(31)46-37(29)30)41-44-39(26-14-5-3-6-15-26)43-40(45-41)27-16-7-4-8-17-27/h3-25,41H,1-2H3,(H,43,44,45)
InChIKeyUKYFRTKVBVLZQF-UHFFFAOYSA-N
XLogP10.05
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.73
LogP ≤ 510.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 145377617
2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 146495104
5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile
CID 139314510
2-phenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167143613
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170139869
N-(9,9-dimethylfluoren-4-yl)-6-phenyldibenzofuran-4-amine
CID 172544973
2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167196177
4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170187141
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167419816
2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931854
2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine
CID 167349594

Frequently Asked Questions

What is the IUPAC name of 4-[6-(9,9-dimethylfluoren-4-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-[6-(9,9-dimethylfluoren-4-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 166961011) is 4-[6-(9,9-dimethylfluoren-4-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[6-(9,9-dimethylfluoren-4-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[6-(9,9-dimethylfluoren-4-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3cccc4c3oc3c(C5N=C(c6ccccc6)NC(c6ccccc6)=N5)cccc34)cccc21.
What is the InChIKey of 4-[6-(9,9-dimethylfluoren-4-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is UKYFRTKVBVLZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3O/c1-42(2)34-24-10-9-18-32(34)36-28(19-13-25-35(36)42)29-20-11-21-30-31-22-12-23-33(38(31)46-37(29)30)41-44-39(26-14-5-3-6-15-26)43-40(45-41)27-16-7-4-8-17-27/h3-25,41H,1-2H3,(H,43,44,45).
What are the key properties of 4-[6-(9,9-dimethylfluoren-4-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
4-[6-(9,9-dimethylfluoren-4-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 593.73 g/mol, XLogP of 10.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(9,9-dimethylfluoren-4-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 166961011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).