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

C48H33N3O — CID 140907356

IUPAC2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1cccc(-c2ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc2)c13
InChIInChI=1S/C48H33N3O/c1-48(2)40-18-10-9-16-37(40)38-28-39-43(29-41(38)48)52-42-19-11-17-36(44(39)42)32-22-26-35(27-23-32)47-50-45(33-14-7-4-8-15-33)49-46(51-47)34-24-20-31(21-25-34)30-12-5-3-6-13-30/h3-29H,1-2H3
InChIKeyGMPXWUZEVGYCIJ-UHFFFAOYSA-N
MW667.81 g/mol
LogP12.41
Rot. Bonds5

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

2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 140907356) has the molecular formula C48H33N3O and a molecular weight of 667.81 g/mol. Its IUPAC name is 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID140907356
Molecular FormulaC48H33N3O
Molecular Weight667.81 g/mol
Exact Mass667.26
IUPAC Name2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1cccc(-c2ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc2)c13
InChIInChI=1S/C48H33N3O/c1-48(2)40-18-10-9-16-37(40)38-28-39-43(29-41(38)48)52-42-19-11-17-36(44(39)42)32-22-26-35(27-23-32)47-50-45(33-14-7-4-8-15-33)49-46(51-47)34-24-20-31(21-25-34)30-12-5-3-6-13-30/h3-29H,1-2H3
InChIKeyGMPXWUZEVGYCIJ-UHFFFAOYSA-N
XLogP12.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134217925
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681215
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681282
2-(9,9-dimethylfluoren-3-yl)-4-[3-(9-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170681343
2-(9,9-dimethylfluoren-2-yl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170681257
2-(4-dibenzofuran-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146649093
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681346
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218029
2-(9,9-dimethylfluoren-3-yl)-4-(4-phenylphenyl)-6-[3-phenyl-5-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681229
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
2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170680833

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 140907356) is 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cc3c(cc21)oc1cccc(-c2ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc2)c13.
What is the InChIKey of 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is GMPXWUZEVGYCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O/c1-48(2)40-18-10-9-16-37(40)38-28-39-43(29-41(38)48)52-42-19-11-17-36(44(39)42)32-22-26-35(27-23-32)47-50-45(33-14-7-4-8-15-33)49-46(51-47)34-24-20-31(21-25-34)30-12-5-3-6-13-30/h3-29H,1-2H3.
What are the key properties of 2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 667.81 g/mol, XLogP of 12.41, 5 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-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 140907356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).