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

C69H40N4O3 — CID 168767734

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

3-[9-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 168767734) has the molecular formula C69H40N4O3 and a molecular weight of 973.10 g/mol. Its IUPAC name is 3-[9-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
• PubChem CID: 168767734
• Molecular Formula: C69H40N4O3
• Molecular Weight: 973.10 g/mol
• Exact Mass: 972.31
• IUPAC Name: 3-[9-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5oc6ccc(-c7cccc8oc9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9c78)cc6c45)n3)cc2)cc1
• InChI: InChI=1S/C69H40N4O3/c1-3-13-41(14-4-1)42-25-27-43(28-26-42)67-70-68(47-29-33-52-51-18-8-10-22-59(51)76-64(52)40-47)72-69(71-67)53-20-12-24-63-66(53)56-39-46(32-36-61(56)75-63)49-19-11-23-62-65(49)55-38-45(31-35-60(55)74-62)44-30-34-58-54(37-44)50-17-7-9-21-57(50)73(58)48-15-5-2-6-16-48/h1-40H
• InChIKey: HAXUVSMDERGBPN-UHFFFAOYSA-N
• XLogP: 18.67
• TPSA: 83.02 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	973.10
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[9-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole (CID 168767734) is 3-[9-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

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

The canonical SMILES for 3-[9-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5oc6ccc(-c7cccc8oc9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9c78)cc6c45)n3)cc2)cc1.

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

The InChIKey is HAXUVSMDERGBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H40N4O3/c1-3-13-41(14-4-1)42-25-27-43(28-26-42)67-70-68(47-29-33-52-51-18-8-10-22-59(51)76-64(52)40-47)72-69(71-67)53-20-12-24-63-66(53)56-39-46(32-36-61(56)75-63)49-19-11-23-62-65(49)55-38-45(31-35-60(55)74-62)44-30-34-58-54(37-44)50-17-7-9-21-57(50)73(58)48-15-5-2-6-16-48/h1-40H.

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

3-[9-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 973.10 g/mol, XLogP of 18.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 168767734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).