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

C43H33FN4 — CID 138549741

IUPAC2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-fluorophenyl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(-c4cccc(F)c4)c3)c2c1
InChIInChI=1S/C43H33FN4/c1-43(2,3)31-21-23-35-34-19-10-11-20-38(34)48(39(35)26-31)33-22-24-36(37(27-33)30-17-12-18-32(44)25-30)42-46-40(28-13-6-4-7-14-28)45-41(47-42)29-15-8-5-9-16-29/h4-27H,1-3H3
InChIKeyOGCIAQGIIYQXPA-UHFFFAOYSA-N
MW624.76 g/mol
LogP11.07
Rot. Bonds5

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

2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-fluorophenyl)phenyl]carbazole (PubChem CID 138549741) has the molecular formula C43H33FN4 and a molecular weight of 624.76 g/mol. Its IUPAC name is 2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-fluorophenyl)phenyl]carbazole.

Molecular Properties

Compound Name2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-fluorophenyl)phenyl]carbazole
PubChem CID138549741
Molecular FormulaC43H33FN4
Molecular Weight624.76 g/mol
Exact Mass624.27
IUPAC Name2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-fluorophenyl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(-c4cccc(F)c4)c3)c2c1
InChIInChI=1S/C43H33FN4/c1-43(2,3)31-21-23-35-34-19-10-11-20-38(34)48(39(35)26-31)33-22-24-36(37(27-33)30-17-12-18-32(44)25-30)42-46-40(28-13-6-4-7-14-28)45-41(47-42)29-15-8-5-9-16-29/h4-27H,1-3H3
InChIKeyOGCIAQGIIYQXPA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]carbazole
CID 138549332
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]-3-(trifluoromethyl)carbazole
CID 138549656
2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 156509810
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 138549660
2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-(trifluoromethyl)phenyl]phenyl]-7-[5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazole
CID 156509701
2-tert-butyl-9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138565680
2-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole
CID 142555860
9-[3-(2,4-difluorophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole
CID 138565727
5-(3-tert-butylcarbazol-9-yl)-2-[4-[2-(3-cyanophenyl)-4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 174170476
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]-3,6-dimethylcarbazole;ethane
CID 142555822
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 156509854
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-tritylphenyl)phenyl]-3-methylcarbazole
CID 159546034

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-fluorophenyl)phenyl]carbazole?
The IUPAC name of 2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-fluorophenyl)phenyl]carbazole (CID 138549741) is 2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-fluorophenyl)phenyl]carbazole.
What is the SMILES notation for 2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-fluorophenyl)phenyl]carbazole?
The canonical SMILES for 2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-fluorophenyl)phenyl]carbazole is CC(C)(C)c1ccc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(-c4cccc(F)c4)c3)c2c1.
What is the InChIKey of 2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-fluorophenyl)phenyl]carbazole?
The InChIKey is OGCIAQGIIYQXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33FN4/c1-43(2,3)31-21-23-35-34-19-10-11-20-38(34)48(39(35)26-31)33-22-24-36(37(27-33)30-17-12-18-32(44)25-30)42-46-40(28-13-6-4-7-14-28)45-41(47-42)29-15-8-5-9-16-29/h4-27H,1-3H3.
What are the key properties of 2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-fluorophenyl)phenyl]carbazole?
2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-fluorophenyl)phenyl]carbazole is sourced from PubChem (CID 138549741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).