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

C63H37N5O2 — CID 169060574

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

3-carbazol-9-yl-9-[9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole (PubChem CID 169060574) has the molecular formula C63H37N5O2 and a molecular weight of 896.02 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-[9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
• PubChem CID: 169060574
• Molecular Formula: C63H37N5O2
• Molecular Weight: 896.02 g/mol
• Exact Mass: 895.29
• IUPAC Name: 3-carbazol-9-yl-9-[9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
• SMILES: c1ccc(-c2cccc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5oc6ccc(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)cc6c45)n3)c2)cc1
• InChI: InChI=1S/C63H37N5O2/c1-2-15-38(16-3-1)39-17-12-18-40(35-39)61-64-62(66-63(65-61)49-25-13-23-47-46-22-7-11-29-56(46)70-60(47)49)48-24-14-30-58-59(48)51-37-42(32-34-57(51)69-58)68-54-28-10-6-21-45(54)50-36-41(31-33-55(50)68)67-52-26-8-4-19-43(52)44-20-5-9-27-53(44)67/h1-37H
• InChIKey: UNYKEFPVFRSEME-UHFFFAOYSA-N
• XLogP: 16.53
• TPSA: 74.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.02
LogP ≤ 5	16.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-carbazol-9-yl-9-[9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole (CID 169060574) is 3-carbazol-9-yl-9-[9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole.

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

The canonical SMILES for 3-carbazol-9-yl-9-[9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole is c1ccc(-c2cccc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5oc6ccc(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)cc6c45)n3)c2)cc1.

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

The InChIKey is UNYKEFPVFRSEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N5O2/c1-2-15-38(16-3-1)39-17-12-18-40(35-39)61-64-62(66-63(65-61)49-25-13-23-47-46-22-7-11-29-56(46)70-60(47)49)48-24-14-30-58-59(48)51-37-42(32-34-57(51)69-58)68-54-28-10-6-21-45(54)50-36-41(31-33-55(50)68)67-52-26-8-4-19-43(52)44-20-5-9-27-53(44)67/h1-37H.

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

3-carbazol-9-yl-9-[9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 896.02 g/mol, XLogP of 16.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-[9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 169060574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).