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

C48H34F2N4 — CID 146414962

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

9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole (PubChem CID 146414962) has the molecular formula C48H34F2N4 and a molecular weight of 704.82 g/mol. Its IUPAC name is 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole
• PubChem CID: 146414962
• Molecular Formula: C48H34F2N4
• Molecular Weight: 704.82 g/mol
• Exact Mass: 704.28
• IUPAC Name: 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole
• SMILES: Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(F)cc(F)c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1
• InChI: InChI=1S/C48H34F2N4/c1-29-22-30(2)45(31(3)23-29)35-19-21-43-40(27-35)39-16-10-11-17-42(39)54(43)44-20-18-34(36-24-37(49)28-38(50)25-36)26-41(44)48-52-46(32-12-6-4-7-13-32)51-47(53-48)33-14-8-5-9-15-33/h4-28H,1-3H3
• InChIKey: LUVHXQKKZVOBON-UHFFFAOYSA-N
• XLogP: 12.51
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.82
LogP ≤ 5	12.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole?

The IUPAC name of 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole (CID 146414962) is 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole.

What is the SMILES notation for 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole?

The canonical SMILES for 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(F)cc(F)c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1.

What is the InChIKey of 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole?

The InChIKey is LUVHXQKKZVOBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34F2N4/c1-29-22-30(2)45(31(3)23-29)35-19-21-43-40(27-35)39-16-10-11-17-42(39)54(43)44-20-18-34(36-24-37(49)28-38(50)25-36)26-41(44)48-52-46(32-12-6-4-7-13-32)51-47(53-48)33-14-8-5-9-15-33/h4-28H,1-3H3.

What are the key properties of 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole?

9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 704.82 g/mol, XLogP of 12.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 146414962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).