2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole

C44H33F3N4 — CID 138486383

IUPAC2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c3ccccc3n(-c3cc(-c4ccc(C(F)(F)F)cc4)ccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C44H33F3N4/c1-43(2,3)33-23-25-35-34-16-10-11-17-37(34)51(39(35)27-33)38-26-31(28-18-21-32(22-19-28)44(45,46)47)20-24-36(38)42-49-40(29-12-6-4-7-13-29)48-41(50-42)30-14-8-5-9-15-30/h4-27H,1-3H3
InChIKeySBUACTXBBDPHJT-UHFFFAOYSA-N
MW674.77 g/mol
LogP11.95
Rot. Bonds5

About 2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole

2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 138486383) has the molecular formula C44H33F3N4 and a molecular weight of 674.77 g/mol. Its IUPAC name is 2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID138486383
Molecular FormulaC44H33F3N4
Molecular Weight674.77 g/mol
Exact Mass674.27
IUPAC Name2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c3ccccc3n(-c3cc(-c4ccc(C(F)(F)F)cc4)ccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C44H33F3N4/c1-43(2,3)33-23-25-35-34-16-10-11-17-37(34)51(39(35)27-33)38-26-31(28-18-21-32(22-19-28)44(45,46)47)20-24-36(38)42-49-40(29-12-6-4-7-13-29)48-41(50-42)30-14-8-5-9-15-30/h4-27H,1-3H3
InChIKeySBUACTXBBDPHJT-UHFFFAOYSA-N
XLogP11.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.77
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486384
3-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 142543965
2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486639
2-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole
CID 142555860
2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486549
2-tert-butyl-9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138565680
2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486289
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
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)-4-pyridin-4-ylphenyl]-2-(trifluoromethyl)carbazole
CID 162573022
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 142543846
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 142543888

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole (CID 138486383) is 2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole is CC(C)(C)c1ccc2c3ccccc3n(-c3cc(-c4ccc(C(F)(F)F)cc4)ccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.
What is the InChIKey of 2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is SBUACTXBBDPHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33F3N4/c1-43(2,3)33-23-25-35-34-16-10-11-17-37(34)51(39(35)27-33)38-26-31(28-18-21-32(22-19-28)44(45,46)47)20-24-36(38)42-49-40(29-12-6-4-7-13-29)48-41(50-42)30-14-8-5-9-15-30/h4-27H,1-3H3.
What are the key properties of 2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole?
2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 674.77 g/mol, XLogP of 11.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 138486383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).