4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-2-(2-methylphenyl)-N-phenylaniline

C47H32F2N4 — CID 145277097

IUPAC4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-2-(2-methylphenyl)-N-phenylaniline
SMILESCc1ccccc1-c1cc(-c2ccc3c(c2)C(F)(F)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2-3)ccc1Nc1ccccc1
InChIInChI=1S/C47H32F2N4/c1-30-13-11-12-20-37(30)40-27-33(23-26-43(40)50-36-18-9-4-10-19-36)34-21-24-38-39-25-22-35(29-42(39)47(48,49)41(38)28-34)46-52-44(31-14-5-2-6-15-31)51-45(53-46)32-16-7-3-8-17-32/h2-29,50H,1H3
InChIKeyFATJMBYERDEZKV-UHFFFAOYSA-N
MW690.80 g/mol
LogP12.38
Rot. Bonds7

About 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-2-(2-methylphenyl)-N-phenylaniline

4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-2-(2-methylphenyl)-N-phenylaniline (PubChem CID 145277097) has the molecular formula C47H32F2N4 and a molecular weight of 690.80 g/mol. Its IUPAC name is 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-2-(2-methylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-2-(2-methylphenyl)-N-phenylaniline
PubChem CID145277097
Molecular FormulaC47H32F2N4
Molecular Weight690.80 g/mol
Exact Mass690.26
IUPAC Name4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-2-(2-methylphenyl)-N-phenylaniline
SMILESCc1ccccc1-c1cc(-c2ccc3c(c2)C(F)(F)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2-3)ccc1Nc1ccccc1
InChIInChI=1S/C47H32F2N4/c1-30-13-11-12-20-37(30)40-27-33(23-26-43(40)50-36-18-9-4-10-19-36)34-21-24-38-39-25-22-35(29-42(39)47(48,49)41(38)28-34)46-52-44(31-14-5-2-6-15-31)51-45(53-46)32-16-7-3-8-17-32/h2-29,50H,1H3
InChIKeyFATJMBYERDEZKV-UHFFFAOYSA-N
XLogP12.38
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.80
LogP ≤ 512.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9,9-difluoro-7-pyridin-4-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 134271879
2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 134271878
4-methyl-2-(2-methylphenyl)-N-phenylaniline
CID 70565029
4-[9,9-difluoro-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 134271868
2-[9,9-bis(2-methylphenyl)fluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 139566173
2-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]benzenecarboximidoyl]-N-phenylaniline
CID 154596856
2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine
CID 134271846
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole
CID 134271912
2-[7-(9-fluoro-9-methylfluoren-2-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 145277065
2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-dinaphthalen-2-ylpyrimidine;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-2,6-dinaphthalen-2-ylpyrimidine;2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157165175
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-(5-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)-4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 139376539

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-2-(2-methylphenyl)-N-phenylaniline?
The IUPAC name of 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-2-(2-methylphenyl)-N-phenylaniline (CID 145277097) is 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-2-(2-methylphenyl)-N-phenylaniline.
What is the SMILES notation for 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-2-(2-methylphenyl)-N-phenylaniline?
The canonical SMILES for 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-2-(2-methylphenyl)-N-phenylaniline is Cc1ccccc1-c1cc(-c2ccc3c(c2)C(F)(F)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2-3)ccc1Nc1ccccc1.
What is the InChIKey of 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-2-(2-methylphenyl)-N-phenylaniline?
The InChIKey is FATJMBYERDEZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32F2N4/c1-30-13-11-12-20-37(30)40-27-33(23-26-43(40)50-36-18-9-4-10-19-36)34-21-24-38-39-25-22-35(29-42(39)47(48,49)41(38)28-34)46-52-44(31-14-5-2-6-15-31)51-45(53-46)32-16-7-3-8-17-32/h2-29,50H,1H3.
What are the key properties of 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-2-(2-methylphenyl)-N-phenylaniline?
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-2-(2-methylphenyl)-N-phenylaniline has a molecular weight of 690.80 g/mol, XLogP of 12.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-2-(2-methylphenyl)-N-phenylaniline is sourced from PubChem (CID 145277097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).