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

C42H29N3O — CID 134218029

IUPAC2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n2)cc13
InChIInChI=1S/C42H29N3O/c1-42(2)35-19-10-9-18-31(35)32-24-34-33-23-30(20-21-37(33)46-38(34)25-36(32)42)41-44-39(27-14-7-4-8-15-27)43-40(45-41)29-17-11-16-28(22-29)26-12-5-3-6-13-26/h3-25H,1-2H3
InChIKeyGBLVJDXBVLFRLW-UHFFFAOYSA-N
MW591.71 g/mol
LogP10.75
Rot. Bonds4

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

2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 134218029) has the molecular formula C42H29N3O and a molecular weight of 591.71 g/mol. Its IUPAC name is 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID134218029
Molecular FormulaC42H29N3O
Molecular Weight591.71 g/mol
Exact Mass591.23
IUPAC Name2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n2)cc13
InChIInChI=1S/C42H29N3O/c1-42(2)35-19-10-9-18-31(35)32-24-34-33-23-30(20-21-37(33)46-38(34)25-36(32)42)41-44-39(27-14-7-4-8-15-27)43-40(45-41)29-17-11-16-28(22-29)26-12-5-3-6-13-26/h3-25H,1-2H3
InChIKeyGBLVJDXBVLFRLW-UHFFFAOYSA-N
XLogP10.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.71
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-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-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 140907327
2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 140907263
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159465808
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4-phenyl-6-pyrimidin-2-yl-1,3,5-triazine
CID 158622939
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218012
2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 130233115
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159636091
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140907356
2-dibenzofuran-2-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602383
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602605
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylphenyl)-1,3,5-triazine
CID 164720982
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198600

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 134218029) is 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n2)cc13.
What is the InChIKey of 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is GBLVJDXBVLFRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3O/c1-42(2)35-19-10-9-18-31(35)32-24-34-33-23-30(20-21-37(33)46-38(34)25-36(32)42)41-44-39(27-14-7-4-8-15-27)43-40(45-41)29-17-11-16-28(22-29)26-12-5-3-6-13-26/h3-25H,1-2H3.
What are the key properties of 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 591.71 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 134218029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).