2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C48H33N3O — CID 162775179

IUPAC2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc4oc5ccccc5c34)cc21
InChIInChI=1S/C48H33N3O/c1-48(2)40-19-11-9-17-36(40)37-26-25-34(28-41(37)48)39-27-35(29-43-44(39)38-18-10-12-20-42(38)52-43)30-21-23-33(24-22-30)47-50-45(31-13-5-3-6-14-31)49-46(51-47)32-15-7-4-8-16-32/h3-29H,1-2H3
InChIKeyMAKAAZZBAZDKLP-UHFFFAOYSA-N
MW667.81 g/mol
LogP12.41
Rot. Bonds5

About 2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 162775179) has the molecular formula C48H33N3O and a molecular weight of 667.81 g/mol. Its IUPAC name is 2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID162775179
Molecular FormulaC48H33N3O
Molecular Weight667.81 g/mol
Exact Mass667.26
IUPAC Name2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc4oc5ccccc5c34)cc21
InChIInChI=1S/C48H33N3O/c1-48(2)40-19-11-9-17-36(40)37-26-25-34(28-41(37)48)39-27-35(29-43-44(39)38-18-10-12-20-42(38)52-43)30-21-23-33(24-22-30)47-50-45(31-13-5-3-6-14-31)49-46(51-47)32-15-7-4-8-16-32/h3-29H,1-2H3
InChIKeyMAKAAZZBAZDKLP-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-(9,9-dimethylfluoren-2-yl)-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170301829
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-(3,5-diphenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681152
2-dibenzofuran-3-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 163970281
2-(9,9-dimethylfluoren-2-yl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170681257
2-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 162775350
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170680854
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681346
2-dibenzofuran-1-yl-4-[4-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 177079301
2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491033
2,4-di(dibenzofuran-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165090742

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 162775179) is 2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc4oc5ccccc5c34)cc21.
What is the InChIKey of 2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is MAKAAZZBAZDKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O/c1-48(2)40-19-11-9-17-36(40)37-26-25-34(28-41(37)48)39-27-35(29-43-44(39)38-18-10-12-20-42(38)52-43)30-21-23-33(24-22-30)47-50-45(31-13-5-3-6-14-31)49-46(51-47)32-15-7-4-8-16-32/h3-29H,1-2H3.
What are the key properties of 2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-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-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 162775179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).