2-(9,9-dimethylfluoren-1-yl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

C48H33N3O — CID 171050760

IUPAC2-(9,9-dimethylfluoren-1-yl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-c3ccccc3)cc3c2oc2cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5C(C)(C)c5ccccc5-6)n4)c23)c([2H])c1[2H]
InChIInChI=1S/C48H33N3O/c1-48(2)40-26-13-12-22-34(40)35-23-14-25-37(43(35)48)47-50-45(32-20-10-5-11-21-32)49-46(51-47)36-24-15-27-41-42(36)39-29-33(30-16-6-3-7-17-30)28-38(44(39)52-41)31-18-8-4-9-19-31/h3-29H,1-2H3/i4D,8D,9D,18D,19D
InChIKeyYPDSUPXYWVTCLE-WUDULFIXSA-N
MW672.84 g/mol
LogP12.41
Rot. Bonds5

About 2-(9,9-dimethylfluoren-1-yl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

2-(9,9-dimethylfluoren-1-yl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 171050760) has the molecular formula C48H33N3O and a molecular weight of 672.84 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-1-yl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-1-yl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
PubChem CID171050760
Molecular FormulaC48H33N3O
Molecular Weight672.84 g/mol
Exact Mass672.29
IUPAC Name2-(9,9-dimethylfluoren-1-yl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-c3ccccc3)cc3c2oc2cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5C(C)(C)c5ccccc5-6)n4)c23)c([2H])c1[2H]
InChIInChI=1S/C48H33N3O/c1-48(2)40-26-13-12-22-34(40)35-23-14-25-37(43(35)48)47-50-45(32-20-10-5-11-21-32)49-46(51-47)36-24-15-27-41-42(36)39-29-33(30-16-6-3-7-17-30)28-38(44(39)52-41)31-18-8-4-9-19-31/h3-29H,1-2H3/i4D,8D,9D,18D,19D
InChIKeyYPDSUPXYWVTCLE-WUDULFIXSA-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 ≤ 500672.84
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(9,9-dimethylfluoren-1-yl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-(4-phenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 171050661
2-dibenzofuran-3-yl-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 171050772
2-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 171050609
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenyldibenzofuran-2-yl]carbazole;9-[4-[4-(9,9-dimethylfluoren-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenyldibenzofuran-2-yl]carbazole;9-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole
CID 163488115
2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 147117573
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166002481
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166003177
2-[6,8-bis(3-phenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496708
3-[4-[6,8-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171050684
2-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369077
2-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369552
2-(9,9-dimethylfluoren-1-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680820

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-1-yl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-1-yl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (CID 171050760) is 2-(9,9-dimethylfluoren-1-yl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-1-yl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-1-yl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2cc(-c3ccccc3)cc3c2oc2cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5C(C)(C)c5ccccc5-6)n4)c23)c([2H])c1[2H].
What is the InChIKey of 2-(9,9-dimethylfluoren-1-yl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is YPDSUPXYWVTCLE-WUDULFIXSA-N. The full InChI is InChI=1S/C48H33N3O/c1-48(2)40-26-13-12-22-34(40)35-23-14-25-37(43(35)48)47-50-45(32-20-10-5-11-21-32)49-46(51-47)36-24-15-27-41-42(36)39-29-33(30-16-6-3-7-17-30)28-38(44(39)52-41)31-18-8-4-9-19-31/h3-29H,1-2H3/i4D,8D,9D,18D,19D.
What are the key properties of 2-(9,9-dimethylfluoren-1-yl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
2-(9,9-dimethylfluoren-1-yl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 672.84 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-(9,9-dimethylfluoren-1-yl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 171050760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).