2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine

C48H31N3O2 — CID 154602751

IUPAC2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c3)ccc2-c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C48H31N3O2/c1-48(2)38-25-24-35-33-17-7-9-21-41(33)53-44(35)42(38)36-23-22-30(27-39(36)48)29-14-10-15-31(26-29)46-49-45(28-12-4-3-5-13-28)50-47(51-46)37-19-11-18-34-32-16-6-8-20-40(32)52-43(34)37/h3-27H,1-2H3
InChIKeyXAKWNURRGLHPTB-UHFFFAOYSA-N
MW681.80 g/mol
LogP12.64
Rot. Bonds4

About 2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 154602751) has the molecular formula C48H31N3O2 and a molecular weight of 681.80 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID154602751
Molecular FormulaC48H31N3O2
Molecular Weight681.80 g/mol
Exact Mass681.24
IUPAC Name2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c3)ccc2-c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C48H31N3O2/c1-48(2)38-25-24-35-33-17-7-9-21-41(33)53-44(35)42(38)36-23-22-30(27-39(36)48)29-14-10-15-31(26-29)46-49-45(28-12-4-3-5-13-28)50-47(51-46)37-19-11-18-34-32-16-6-8-20-40(32)52-43(34)37/h3-27H,1-2H3
InChIKeyXAKWNURRGLHPTB-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-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-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-3-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602580
2-dibenzofuran-4-yl-4-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166025643
2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 118553010
2-dibenzofuran-4-yl-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614151
2-dibenzofuran-4-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602477
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 153081427
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 158811090
2-[4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602556
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
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491277

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 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) is 2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine is CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c3)ccc2-c2c1ccc1c2oc2ccccc21.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is XAKWNURRGLHPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3O2/c1-48(2)38-25-24-35-33-17-7-9-21-41(33)53-44(35)42(38)36-23-22-30(27-39(36)48)29-14-10-15-31(26-29)46-49-45(28-12-4-3-5-13-28)50-47(51-46)37-19-11-18-34-32-16-6-8-20-40(32)52-43(34)37/h3-27H,1-2H3.
What are the key properties of 2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-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-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 154602751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).