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

C43H33FN4 — CID 142555860

IUPAC2-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c3ccccc3n(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-c3ccc(F)cc3)c2c1
InChIInChI=1S/C43H33FN4/c1-43(2,3)32-21-25-36-35-16-10-11-17-37(35)48(39(36)27-32)38-26-31(20-24-34(38)28-18-22-33(44)23-19-28)42-46-40(29-12-6-4-7-13-29)45-41(47-42)30-14-8-5-9-15-30/h4-27H,1-3H3
InChIKeyIFGJFBRWHSGBLL-UHFFFAOYSA-N
MW624.76 g/mol
LogP11.07
Rot. Bonds5

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

2-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole (PubChem CID 142555860) has the molecular formula C43H33FN4 and a molecular weight of 624.76 g/mol. Its IUPAC name is 2-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole.

Molecular Properties

Compound Name2-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole
PubChem CID142555860
Molecular FormulaC43H33FN4
Molecular Weight624.76 g/mol
Exact Mass624.27
IUPAC Name2-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c3ccccc3n(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-c3ccc(F)cc3)c2c1
InChIInChI=1S/C43H33FN4/c1-43(2,3)32-21-25-36-35-16-10-11-17-37(35)48(39(36)27-32)38-26-31(20-24-34(38)28-18-22-33(44)23-19-28)42-46-40(29-12-6-4-7-13-29)45-41(47-42)30-14-8-5-9-15-30/h4-27H,1-3H3
InChIKeyIFGJFBRWHSGBLL-UHFFFAOYSA-N
XLogP11.07
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.76
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-(2-fluorophenyl)phenyl]carbazole
CID 138549431
2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486383
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole
CID 138549503
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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486549
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-ditert-butylcarbazole
CID 137414629
2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole
CID 138549500
2-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile
CID 142555854
2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-fluorophenyl)phenyl]carbazole
CID 138549741

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole?
The IUPAC name of 2-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole (CID 142555860) is 2-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole.
What is the SMILES notation for 2-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole?
The canonical SMILES for 2-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole is CC(C)(C)c1ccc2c3ccccc3n(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-c3ccc(F)cc3)c2c1.
What is the InChIKey of 2-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole?
The InChIKey is IFGJFBRWHSGBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33FN4/c1-43(2,3)32-21-25-36-35-16-10-11-17-37(35)48(39(36)27-32)38-26-31(20-24-34(38)28-18-22-33(44)23-19-28)42-46-40(29-12-6-4-7-13-29)45-41(47-42)30-14-8-5-9-15-30/h4-27H,1-3H3.
What are the key properties of 2-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole?
2-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole has a molecular weight of 624.76 g/mol, XLogP of 11.07, 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-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole is sourced from PubChem (CID 142555860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).