9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole

C46H30F2N4 — CID 138565349

IUPAC9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(F)cc(F)c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C46H30F2N4/c1-29-12-8-9-17-37(29)33-21-23-42-39(27-33)38-18-10-11-19-41(38)52(42)43-22-20-32(34-24-35(47)28-36(48)25-34)26-40(43)46-50-44(30-13-4-2-5-14-30)49-45(51-46)31-15-6-3-7-16-31/h2-28H,1H3
InChIKeyOATBXKHCSRSJGD-UHFFFAOYSA-N
MW676.77 g/mol
LogP11.89
Rot. Bonds6

About 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole

9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole (PubChem CID 138565349) has the molecular formula C46H30F2N4 and a molecular weight of 676.77 g/mol. Its IUPAC name is 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole
PubChem CID138565349
Molecular FormulaC46H30F2N4
Molecular Weight676.77 g/mol
Exact Mass676.24
IUPAC Name9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(F)cc(F)c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C46H30F2N4/c1-29-12-8-9-17-37(29)33-21-23-42-39(27-33)38-18-10-11-19-41(38)52(42)43-22-20-32(34-24-35(47)28-36(48)25-34)26-40(43)46-50-44(30-13-4-2-5-14-30)49-45(51-46)31-15-6-3-7-16-31/h2-28H,1H3
InChIKeyOATBXKHCSRSJGD-UHFFFAOYSA-N
XLogP11.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.77
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 138566151
9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 138565238
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 162500631
9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 146414962
9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
CID 138565345
3-[4-[5-cyano-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138713139
9-[4-(2-carbazol-9-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 155279556
3-(3,5-dimethylphenyl)-9-[4-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139504246
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-fluorophenyl)phenyl]carbazole
CID 138549730
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole
CID 155463281
4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(2-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 139496044
9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 155232861

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole?
The IUPAC name of 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole (CID 138565349) is 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole.
What is the SMILES notation for 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole?
The canonical SMILES for 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole is Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(F)cc(F)c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole?
The InChIKey is OATBXKHCSRSJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30F2N4/c1-29-12-8-9-17-37(29)33-21-23-42-39(27-33)38-18-10-11-19-41(38)52(42)43-22-20-32(34-24-35(47)28-36(48)25-34)26-40(43)46-50-44(30-13-4-2-5-14-30)49-45(51-46)31-15-6-3-7-16-31/h2-28H,1H3.
What are the key properties of 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole?
9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole has a molecular weight of 676.77 g/mol, XLogP of 11.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole is sourced from PubChem (CID 138565349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).