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

C75H47N5O — CID 146620661

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

3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 146620661) has the molecular formula C75H47N5O and a molecular weight of 1034.24 g/mol. Its IUPAC name is 3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
• PubChem CID: 146620661
• Molecular Formula: C75H47N5O
• Molecular Weight: 1034.24 g/mol
• Exact Mass: 1033.38
• IUPAC Name: 3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8oc9c(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)cccc9c8c7)ccc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)cc1
• InChI: InChI=1S/C75H47N5O/c1-5-18-48(19-6-1)52-26-15-28-58(42-52)79-67-33-14-13-30-60(67)63-44-54(34-38-68(63)79)55-35-39-69-64(45-55)65-46-56(36-40-70(65)80(69)59-29-16-27-53(43-59)49-20-7-2-8-21-49)57-37-41-71-66(47-57)61-31-17-32-62(72(61)81-71)75-77-73(50-22-9-3-10-23-50)76-74(78-75)51-24-11-4-12-25-51/h1-47H
• InChIKey: FTHRRADIOMFRPU-UHFFFAOYSA-N
• XLogP: 19.63
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1034.24
LogP ≤ 5	19.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole (CID 146620661) is 3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole.

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

The canonical SMILES for 3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8oc9c(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)cccc9c8c7)ccc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)cc1.

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

The InChIKey is FTHRRADIOMFRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H47N5O/c1-5-18-48(19-6-1)52-26-15-28-58(42-52)79-67-33-14-13-30-60(67)63-44-54(34-38-68(63)79)55-35-39-69-64(45-55)65-46-56(36-40-70(65)80(69)59-29-16-27-53(43-59)49-20-7-2-8-21-49)57-37-41-71-66(47-57)61-31-17-32-62(72(61)81-71)75-77-73(50-22-9-3-10-23-50)76-74(78-75)51-24-11-4-12-25-51/h1-47H.

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

3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole has a molecular weight of 1034.24 g/mol, XLogP of 19.63, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 146620661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).