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

C81H51N5O — CID 138718163

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

3-(3-carbazol-9-ylphenyl)-9-[3-[4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]carbazole (PubChem CID 138718163) has the molecular formula C81H51N5O and a molecular weight of 1110.33 g/mol. Its IUPAC name is 3-(3-carbazol-9-ylphenyl)-9-[3-[4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(3-carbazol-9-ylphenyl)-9-[3-[4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]carbazole
• PubChem CID: 138718163
• Molecular Formula: C81H51N5O
• Molecular Weight: 1110.33 g/mol
• Exact Mass: 1109.41
• IUPAC Name: 3-(3-carbazol-9-ylphenyl)-9-[3-[4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cc(-c7cccc(-n8c9ccccc9c9cc(-c%10cccc(-n%11c%12ccccc%12c%12ccccc%12%11)c%10)ccc98)c7)cc7c6oc6ccccc67)c5)c4)c3)n2)cc1
• InChI: InChI=1S/C81H51N5O/c1-3-20-52(21-4-1)79-82-80(53-22-5-2-6-23-53)84-81(83-79)62-31-17-27-57(46-62)55-25-15-24-54(44-55)56-26-16-30-61(45-56)70-50-63(51-72-69-37-10-14-41-77(69)87-78(70)72)59-29-19-33-65(48-59)86-75-40-13-9-36-68(75)71-49-60(42-43-76(71)86)58-28-18-32-64(47-58)85-73-38-11-7-34-66(73)67-35-8-12-39-74(67)85/h1-51H
• InChIKey: IAUDMFMPQRVKFQ-UHFFFAOYSA-N
• XLogP: 21.30
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1110.33
LogP ≤ 5	21.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(3-carbazol-9-ylphenyl)-9-[3-[4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]carbazole (CID 138718163) is 3-(3-carbazol-9-ylphenyl)-9-[3-[4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]carbazole.

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

The canonical SMILES for 3-(3-carbazol-9-ylphenyl)-9-[3-[4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cc(-c7cccc(-n8c9ccccc9c9cc(-c%10cccc(-n%11c%12ccccc%12c%12ccccc%12%11)c%10)ccc98)c7)cc7c6oc6ccccc67)c5)c4)c3)n2)cc1.

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

The InChIKey is IAUDMFMPQRVKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H51N5O/c1-3-20-52(21-4-1)79-82-80(53-22-5-2-6-23-53)84-81(83-79)62-31-17-27-57(46-62)55-25-15-24-54(44-55)56-26-16-30-61(45-56)70-50-63(51-72-69-37-10-14-41-77(69)87-78(70)72)59-29-19-33-65(48-59)86-75-40-13-9-36-68(75)71-49-60(42-43-76(71)86)58-28-18-32-64(47-58)85-73-38-11-7-34-66(73)67-35-8-12-39-74(67)85/h1-51H.

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

3-(3-carbazol-9-ylphenyl)-9-[3-[4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]carbazole has a molecular weight of 1110.33 g/mol, XLogP of 21.30, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-carbazol-9-ylphenyl)-9-[3-[4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]carbazole is sourced from PubChem (CID 138718163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).