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

C48H35FN4 — CID 138549402

IUPAC9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(F)cc3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C48H35FN4/c1-30-26-31(2)45(32(3)27-30)37-21-25-43-41(28-37)39-16-10-11-17-42(39)53(43)44-29-36(33-18-22-38(49)23-19-33)20-24-40(44)48-51-46(34-12-6-4-7-13-34)50-47(52-48)35-14-8-5-9-15-35/h4-29H,1-3H3
InChIKeyWDGOKHJOLWFXQV-UHFFFAOYSA-N
MW686.83 g/mol
LogP12.37
Rot. Bonds6

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

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole (PubChem CID 138549402) has the molecular formula C48H35FN4 and a molecular weight of 686.83 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole
PubChem CID138549402
Molecular FormulaC48H35FN4
Molecular Weight686.83 g/mol
Exact Mass686.28
IUPAC Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(F)cc3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C48H35FN4/c1-30-26-31(2)45(32(3)27-30)37-21-25-43-41(28-37)39-16-10-11-17-42(39)53(43)44-29-36(33-18-22-38(49)23-19-33)20-24-40(44)48-51-46(34-12-6-4-7-13-34)50-47(52-48)35-14-8-5-9-15-35/h4-29H,1-3H3
InChIKeyWDGOKHJOLWFXQV-UHFFFAOYSA-N
XLogP12.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.83
LogP ≤ 512.37
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-(2,4,6-trimethylphenyl)carbazole
CID 146414962
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]-3-(4-methylphenyl)carbazole
CID 138549621
3-(3,5-dimethylphenyl)-9-[5-[3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162500772
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole
CID 138549500
9-[5-[3-[3-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[5-[3-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4-methylphenyl)carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(4-methylphenyl)carbazole
CID 163967215
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 138730538
3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138566204
3,6-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole
CID 138549722
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole
CID 138549503
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 138549712
9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3,5-dimethylphenyl)carbazole
CID 138566209

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole?
The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole (CID 138549402) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(F)cc3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole?
The InChIKey is WDGOKHJOLWFXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35FN4/c1-30-26-31(2)45(32(3)27-30)37-21-25-43-41(28-37)39-16-10-11-17-42(39)53(43)44-29-36(33-18-22-38(49)23-19-33)20-24-40(44)48-51-46(34-12-6-4-7-13-34)50-47(52-48)35-14-8-5-9-15-35/h4-29H,1-3H3.
What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole?
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 686.83 g/mol, XLogP of 12.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 138549402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).