2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C42H29N3O — CID 154602605

IUPAC2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2-c2cc3c(cc21)oc1ccccc13
InChIInChI=1S/C42H29N3O/c1-42(2)35-22-21-30(23-32(35)33-24-34-31-15-9-10-16-37(31)46-38(34)25-36(33)42)26-17-19-29(20-18-26)41-44-39(27-11-5-3-6-12-27)43-40(45-41)28-13-7-4-8-14-28/h3-25H,1-2H3
InChIKeyJVYHSSPBOCSTFY-UHFFFAOYSA-N
MW591.71 g/mol
LogP10.75
Rot. Bonds4

About 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 154602605) has the molecular formula C42H29N3O and a molecular weight of 591.71 g/mol. Its IUPAC name is 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID154602605
Molecular FormulaC42H29N3O
Molecular Weight591.71 g/mol
Exact Mass591.23
IUPAC Name2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2-c2cc3c(cc21)oc1ccccc13
InChIInChI=1S/C42H29N3O/c1-42(2)35-22-21-30(23-32(35)33-24-34-31-15-9-10-16-37(31)46-38(34)25-36(33)42)26-17-19-29(20-18-26)41-44-39(27-11-5-3-6-12-27)43-40(45-41)28-13-7-4-8-14-28/h3-25H,1-2H3
InChIKeyJVYHSSPBOCSTFY-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-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218012
4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine
CID 154602384
2-[3-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602744
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218029
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-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 163803074
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 130232863
2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine
CID 154602507
2-(9,9-dimethylfluoren-3-yl)-4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)-6-phenyl-1,3,5-triazine
CID 167689727
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-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 140907327
2-[4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602556

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 154602605) is 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2-c2cc3c(cc21)oc1ccccc13.
What is the InChIKey of 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is JVYHSSPBOCSTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3O/c1-42(2)35-22-21-30(23-32(35)33-24-34-31-15-9-10-16-37(31)46-38(34)25-36(33)42)26-17-19-29(20-18-26)41-44-39(27-11-5-3-6-12-27)43-40(45-41)28-13-7-4-8-14-28/h3-25H,1-2H3.
What are the key properties of 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-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-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 154602605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).