2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine

C36H25N3O — CID 130233245

IUPAC2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc3oc4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc4c3cc21
InChIInChI=1S/C36H25N3O/c1-36(2)29-19-10-9-16-24(29)27-21-31-28(20-30(27)36)25-17-11-18-26(32(25)40-31)35-38-33(22-12-5-3-6-13-22)37-34(39-35)23-14-7-4-8-15-23/h3-21H,1-2H3
InChIKeyQSNKEJAKGHBQEY-UHFFFAOYSA-N
MW515.62 g/mol
LogP9.08
Rot. Bonds3

About 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine

2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 130233245) has the molecular formula C36H25N3O and a molecular weight of 515.62 g/mol. Its IUPAC name is 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID130233245
Molecular FormulaC36H25N3O
Molecular Weight515.62 g/mol
Exact Mass515.20
IUPAC Name2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc3oc4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc4c3cc21
InChIInChI=1S/C36H25N3O/c1-36(2)29-19-10-9-16-24(29)27-21-31-28(20-30(27)36)25-17-11-18-26(32(25)40-31)35-38-33(22-12-5-3-6-13-22)37-34(39-35)23-14-7-4-8-15-23/h3-21H,1-2H3
InChIKeyQSNKEJAKGHBQEY-UHFFFAOYSA-N
XLogP9.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.62
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

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-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-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine
CID 130232493
7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran
CID 158538604
4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 140907204
2-(9,9-dimethylfluoren-2-yl)-4-[8-(9,9-dimethylfluoren-1-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651225
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
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-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134217923
2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 130233115
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-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166953318

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine (CID 130233245) is 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2cc3oc4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc4c3cc21.
What is the InChIKey of 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is QSNKEJAKGHBQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3O/c1-36(2)29-19-10-9-16-24(29)27-21-31-28(20-30(27)36)25-17-11-18-26(32(25)40-31)35-38-33(22-12-5-3-6-13-22)37-34(39-35)23-14-7-4-8-15-23/h3-21H,1-2H3.
What are the key properties of 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine?
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 515.62 g/mol, XLogP of 9.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 130233245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).