1-[4-dibenzofuran-4-yl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazole

C69H41N5O2 — CID 168807756

About 1-[4-dibenzofuran-4-yl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazole

1-[4-dibenzofuran-4-yl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazole (PubChem CID 168807756) has the molecular formula C69H41N5O2 and a molecular weight of 972.12 g/mol. Its IUPAC name is 1-[4-dibenzofuran-4-yl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazole.

Molecular Properties

• Compound Name: 1-[4-dibenzofuran-4-yl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazole
• PubChem CID: 168807756
• Molecular Formula: C69H41N5O2
• Molecular Weight: 972.12 g/mol
• Exact Mass: 971.33
• IUPAC Name: 1-[4-dibenzofuran-4-yl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazole
• SMILES: c1ccc(-c2ccc3oc4cccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7c8ccccc8n(-c8cccc9c%10ccccc%10n(-c%10ccccc%10-c%10ccccc%10)c89)c67)n5)c4c3c2)cc1
• InChI: InChI=1S/C69H41N5O2/c1-3-19-42(20-4-1)44-39-40-61-55(41-44)63-52(30-18-38-62(63)75-61)67-70-68(72-69(71-67)54-32-16-29-51-48-26-10-14-37-60(48)76-66(51)54)53-31-15-27-49-46-24-8-13-35-58(46)74(64(49)53)59-36-17-28-50-47-25-9-12-34-57(47)73(65(50)59)56-33-11-7-23-45(56)43-21-5-2-6-22-43/h1-41H
• InChIKey: PLQGEZKEOXRONK-UHFFFAOYSA-N
• XLogP: 18.20
• TPSA: 74.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	972.12
LogP ≤ 5	18.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-dibenzofuran-4-yl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazole?

The IUPAC name of 1-[4-dibenzofuran-4-yl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazole (CID 168807756) is 1-[4-dibenzofuran-4-yl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazole.

What is the SMILES notation for 1-[4-dibenzofuran-4-yl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazole?

The canonical SMILES for 1-[4-dibenzofuran-4-yl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazole is c1ccc(-c2ccc3oc4cccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7c8ccccc8n(-c8cccc9c%10ccccc%10n(-c%10ccccc%10-c%10ccccc%10)c89)c67)n5)c4c3c2)cc1.

What is the InChIKey of 1-[4-dibenzofuran-4-yl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazole?

The InChIKey is PLQGEZKEOXRONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H41N5O2/c1-3-19-42(20-4-1)44-39-40-61-55(41-44)63-52(30-18-38-62(63)75-61)67-70-68(72-69(71-67)54-32-16-29-51-48-26-10-14-37-60(48)76-66(51)54)53-31-15-27-49-46-24-8-13-35-58(46)74(64(49)53)59-36-17-28-50-47-25-9-12-34-57(47)73(65(50)59)56-33-11-7-23-45(56)43-21-5-2-6-22-43/h1-41H.

What are the key properties of 1-[4-dibenzofuran-4-yl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazole?

1-[4-dibenzofuran-4-yl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazole has a molecular weight of 972.12 g/mol, XLogP of 18.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-dibenzofuran-4-yl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazole is sourced from PubChem (CID 168807756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).