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

C46H30F2N4 — CID 138565345

IUPAC9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
SMILESCc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(F)cc(F)c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C46H30F2N4/c1-29-11-10-16-32(23-29)33-19-21-42-39(26-33)38-17-8-9-18-41(38)52(42)43-22-20-34(35-24-36(47)28-37(48)25-35)27-40(43)46-50-44(30-12-4-2-5-13-30)49-45(51-46)31-14-6-3-7-15-31/h2-28H,1H3
InChIKeyRLOHYCYILCHAFR-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-(3-methylphenyl)carbazole

9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole (PubChem CID 138565345) 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-(3-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
PubChem CID138565345
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-(3-methylphenyl)carbazole
SMILESCc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(F)cc(F)c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C46H30F2N4/c1-29-11-10-16-32(23-29)33-19-21-42-39(26-33)38-17-8-9-18-41(38)52(42)43-22-20-34(35-24-36(47)28-37(48)25-35)27-40(43)46-50-44(30-12-4-2-5-13-30)49-45(51-46)31-14-6-3-7-15-31/h2-28H,1H3
InChIKeyRLOHYCYILCHAFR-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]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 138565238
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-(2-methylphenyl)carbazole
CID 138565349
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-[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
9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 138566151
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 155628027
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
CID 137414587
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 137414558
3-(3,5-dimethylphenyl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421384
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 138549712
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 137420844

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-(3-methylphenyl)carbazole?
The IUPAC name of 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole (CID 138565345) is 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-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-(3-methylphenyl)carbazole?
The canonical SMILES for 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole is Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(F)cc(F)c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole?
The InChIKey is RLOHYCYILCHAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30F2N4/c1-29-11-10-16-32(23-29)33-19-21-42-39(26-33)38-17-8-9-18-41(38)52(42)43-22-20-34(35-24-36(47)28-37(48)25-35)27-40(43)46-50-44(30-12-4-2-5-13-30)49-45(51-46)31-14-6-3-7-15-31/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-(3-methylphenyl)carbazole?
9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-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-(3-methylphenyl)carbazole is sourced from PubChem (CID 138565345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).