2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-fluorophenyl)phenyl]carbazole

C47H41FN4 — CID 138549431

IUPAC2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-fluorophenyl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-c3ccccc3F)c2c1
InChIInChI=1S/C47H41FN4/c1-46(2,3)33-22-25-37-38-26-23-34(47(4,5)6)29-42(38)52(41(37)28-33)40-27-32(21-24-36(40)35-19-13-14-20-39(35)48)45-50-43(30-15-9-7-10-16-30)49-44(51-45)31-17-11-8-12-18-31/h7-29H,1-6H3
InChIKeyGGSLGZOWPSNAEY-UHFFFAOYSA-N
MW680.87 g/mol
LogP12.37
Rot. Bonds5

About 2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-fluorophenyl)phenyl]carbazole

2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-fluorophenyl)phenyl]carbazole (PubChem CID 138549431) has the molecular formula C47H41FN4 and a molecular weight of 680.87 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-fluorophenyl)phenyl]carbazole.

Molecular Properties

Compound Name2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-fluorophenyl)phenyl]carbazole
PubChem CID138549431
Molecular FormulaC47H41FN4
Molecular Weight680.87 g/mol
Exact Mass680.33
IUPAC Name2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-fluorophenyl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-c3ccccc3F)c2c1
InChIInChI=1S/C47H41FN4/c1-46(2,3)33-22-25-37-38-26-23-34(47(4,5)6)29-42(38)52(41(37)28-33)40-27-32(21-24-36(40)35-19-13-14-20-39(35)48)45-50-43(30-15-9-7-10-16-30)49-44(51-45)31-17-11-8-12-18-31/h7-29H,1-6H3
InChIKeyGGSLGZOWPSNAEY-UHFFFAOYSA-N
XLogP12.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.87
LogP ≤ 512.37
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
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]carbazole
CID 138549530
2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486549
3,6-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole
CID 142555883
2-tert-butyl-9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138565680
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-ditert-butylcarbazole
CID 137414629
3-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 142543965
2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486383
9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole
CID 162611788
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]-2,7-diphenylcarbazole
CID 142555832
2,7-ditert-butyl-9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138565246
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole
CID 138549503

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-fluorophenyl)phenyl]carbazole?
The IUPAC name of 2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-fluorophenyl)phenyl]carbazole (CID 138549431) is 2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-fluorophenyl)phenyl]carbazole.
What is the SMILES notation for 2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-fluorophenyl)phenyl]carbazole?
The canonical SMILES for 2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-fluorophenyl)phenyl]carbazole is CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-c3ccccc3F)c2c1.
What is the InChIKey of 2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-fluorophenyl)phenyl]carbazole?
The InChIKey is GGSLGZOWPSNAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H41FN4/c1-46(2,3)33-22-25-37-38-26-23-34(47(4,5)6)29-42(38)52(41(37)28-33)40-27-32(21-24-36(40)35-19-13-14-20-39(35)48)45-50-43(30-15-9-7-10-16-30)49-44(51-45)31-17-11-8-12-18-31/h7-29H,1-6H3.
What are the key properties of 2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-fluorophenyl)phenyl]carbazole?
2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-fluorophenyl)phenyl]carbazole has a molecular weight of 680.87 g/mol, XLogP of 12.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-fluorophenyl)phenyl]carbazole is sourced from PubChem (CID 138549431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).