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

C43H32F2N4 — CID 138565680

IUPAC2-tert-butyl-9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c3ccccc3n(-c3cc(-c4ccc(F)cc4F)ccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C43H32F2N4/c1-43(2,3)30-19-22-34-33-16-10-11-17-37(33)49(39(34)25-30)38-24-29(32-23-20-31(44)26-36(32)45)18-21-35(38)42-47-40(27-12-6-4-7-13-27)46-41(48-42)28-14-8-5-9-15-28/h4-26H,1-3H3
InChIKeyRQOWGFUHVNJABG-UHFFFAOYSA-N
MW642.75 g/mol
LogP11.21
Rot. Bonds5

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

2-tert-butyl-9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 138565680) has the molecular formula C43H32F2N4 and a molecular weight of 642.75 g/mol. Its IUPAC name is 2-tert-butyl-9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-tert-butyl-9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID138565680
Molecular FormulaC43H32F2N4
Molecular Weight642.75 g/mol
Exact Mass642.26
IUPAC Name2-tert-butyl-9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c3ccccc3n(-c3cc(-c4ccc(F)cc4F)ccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C43H32F2N4/c1-43(2,3)30-19-22-34-33-16-10-11-17-37(33)49(39(34)25-30)38-24-29(32-23-20-31(44)26-36(32)45)18-21-35(38)42-47-40(27-12-6-4-7-13-27)46-41(48-42)28-14-8-5-9-15-28/h4-26H,1-3H3
InChIKeyRQOWGFUHVNJABG-UHFFFAOYSA-N
XLogP11.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.75
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole
CID 142555860
2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486383
9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 138565721
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]carbazole
CID 138549530
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole
CID 138549503
3,6-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole
CID 142555883
2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-fluorophenyl)phenyl]carbazole
CID 138549431
2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-fluorophenyl)phenyl]carbazole
CID 138549741
2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2,4-difluorophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138565668
3,6-ditert-butyl-9-[4-[9-[7-carbazol-9-yl-9-[5-(3,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]carbazol-2-yl]-5-(3,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138565626
3-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 142543965
2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486549

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 2-tert-butyl-9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 138565680) is 2-tert-butyl-9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 2-tert-butyl-9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 2-tert-butyl-9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is CC(C)(C)c1ccc2c3ccccc3n(-c3cc(-c4ccc(F)cc4F)ccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.
What is the InChIKey of 2-tert-butyl-9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is RQOWGFUHVNJABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32F2N4/c1-43(2,3)30-19-22-34-33-16-10-11-17-37(33)49(39(34)25-30)38-24-29(32-23-20-31(44)26-36(32)45)18-21-35(38)42-47-40(27-12-6-4-7-13-27)46-41(48-42)28-14-8-5-9-15-28/h4-26H,1-3H3.
What are the key properties of 2-tert-butyl-9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
2-tert-butyl-9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 642.75 g/mol, XLogP of 11.21, 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-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 138565680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).