9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole

C61H44N4O — CID 155628013

About 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole

9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole (PubChem CID 155628013) has the molecular formula C61H44N4O and a molecular weight of 849.05 g/mol. Its IUPAC name is 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
• PubChem CID: 155628013
• Molecular Formula: C61H44N4O
• Molecular Weight: 849.05 g/mol
• Exact Mass: 848.35
• IUPAC Name: 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
• SMILES: Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccc(-c3cccc4oc5ccccc5c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
• InChI: InChI=1S/C61H44N4O/c1-37-28-38(2)31-46(30-37)43-22-25-53-50(34-43)51-35-44(47-32-39(3)29-40(4)33-47)23-26-54(51)65(53)55-27-24-45(48-19-13-21-57-58(48)49-18-11-12-20-56(49)66-57)36-52(55)61-63-59(41-14-7-5-8-15-41)62-60(64-61)42-16-9-6-10-17-42/h5-36H,1-4H3
• InChIKey: MAHOFDINFSGKLN-UHFFFAOYSA-N
• XLogP: 16.10
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.05
LogP ≤ 5	16.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole (CID 155628013) is 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole.

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

The canonical SMILES for 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole is Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccc(-c3cccc4oc5ccccc5c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.

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

The InChIKey is MAHOFDINFSGKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N4O/c1-37-28-38(2)31-46(30-37)43-22-25-53-50(34-43)51-35-44(47-32-39(3)29-40(4)33-47)23-26-54(51)65(53)55-27-24-45(48-19-13-21-57-58(48)49-18-11-12-20-56(49)66-57)36-52(55)61-63-59(41-14-7-5-8-15-41)62-60(64-61)42-16-9-6-10-17-42/h5-36H,1-4H3.

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

9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole has a molecular weight of 849.05 g/mol, XLogP of 16.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole is sourced from PubChem (CID 155628013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).