9-[4-[4-dibenzofuran-2-yl-6-(4-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-3,6-diphenylcarbazole

C69H42N4O2 — CID 146414244

About 9-[4-[4-dibenzofuran-2-yl-6-(4-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-3,6-diphenylcarbazole

9-[4-[4-dibenzofuran-2-yl-6-(4-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-3,6-diphenylcarbazole (PubChem CID 146414244) has the molecular formula C69H42N4O2 and a molecular weight of 959.12 g/mol. Its IUPAC name is 9-[4-[4-dibenzofuran-2-yl-6-(4-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-3,6-diphenylcarbazole.

Molecular Properties

• Compound Name: 9-[4-[4-dibenzofuran-2-yl-6-(4-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-3,6-diphenylcarbazole
• PubChem CID: 146414244
• Molecular Formula: C69H42N4O2
• Molecular Weight: 959.12 g/mol
• Exact Mass: 958.33
• IUPAC Name: 9-[4-[4-dibenzofuran-2-yl-6-(4-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-3,6-diphenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)nc(-c4ccc5oc6ccccc6c5c4)n3)cc2-c2ccccc2)cc1
• InChI: InChI=1S/C69H42N4O2/c1-4-14-43(15-5-1)48-28-33-61-56(38-48)57-39-49(44-16-6-2-7-17-44)29-34-62(57)73(61)60-35-30-51(41-55(60)46-18-8-3-9-19-46)68-70-67(71-69(72-68)52-32-37-66-59(42-52)54-21-11-13-23-64(54)75-66)47-26-24-45(25-27-47)50-31-36-65-58(40-50)53-20-10-12-22-63(53)74-65/h1-42H
• InChIKey: NVAKRWWQZJKZNU-UHFFFAOYSA-N
• XLogP: 18.44
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.12
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-[4-[4-dibenzofuran-2-yl-6-(4-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-3,6-diphenylcarbazole (CID 146414244) is 9-[4-[4-dibenzofuran-2-yl-6-(4-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-3,6-diphenylcarbazole.

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

The canonical SMILES for 9-[4-[4-dibenzofuran-2-yl-6-(4-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)nc(-c4ccc5oc6ccccc6c5c4)n3)cc2-c2ccccc2)cc1.

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

The InChIKey is NVAKRWWQZJKZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N4O2/c1-4-14-43(15-5-1)48-28-33-61-56(38-48)57-39-49(44-16-6-2-7-17-44)29-34-62(57)73(61)60-35-30-51(41-55(60)46-18-8-3-9-19-46)68-70-67(71-69(72-68)52-32-37-66-59(42-52)54-21-11-13-23-64(54)75-66)47-26-24-45(25-27-47)50-31-36-65-58(40-50)53-20-10-12-22-63(53)74-65/h1-42H.

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

9-[4-[4-dibenzofuran-2-yl-6-(4-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-3,6-diphenylcarbazole has a molecular weight of 959.12 g/mol, XLogP of 18.44, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-dibenzofuran-2-yl-6-(4-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 146414244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).