2-[2-[4-(2-phenylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-4-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole

C52H37N5O2 — CID 163523231

About 2-[2-[4-(2-phenylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-4-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole

2-[2-[4-(2-phenylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-4-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole (PubChem CID 163523231) has the molecular formula C52H37N5O2 and a molecular weight of 763.90 g/mol. Its IUPAC name is 2-[2-[4-(2-phenylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-4-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 2-[2-[4-(2-phenylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-4-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
• PubChem CID: 163523231
• Molecular Formula: C52H37N5O2
• Molecular Weight: 763.90 g/mol
• Exact Mass: 763.29
• IUPAC Name: 2-[2-[4-(2-phenylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-4-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
• SMILES: Cc1cc(C)c(-c2ccnc(-n3c4ccccc4c4ccc(Oc5cc(-c6nncn6-c6ccccc6-c6ccccc6)cc6c5oc5ccccc56)cc43)c2)c(C)c1
• InChI: InChI=1S/C52H37N5O2/c1-32-25-33(2)50(34(3)26-32)36-23-24-53-49(29-36)57-45-19-11-8-16-40(45)41-22-21-38(30-46(41)57)58-48-28-37(27-43-42-17-9-12-20-47(42)59-51(43)48)52-55-54-31-56(52)44-18-10-7-15-39(44)35-13-5-4-6-14-35/h4-31H,1-3H3
• InChIKey: IWICSPOJRUPNFQ-UHFFFAOYSA-N
• XLogP: 13.38
• TPSA: 70.90 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.90
LogP ≤ 5	13.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-phenylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-4-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole?

The IUPAC name of 2-[2-[4-(2-phenylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-4-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole (CID 163523231) is 2-[2-[4-(2-phenylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-4-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole.

What is the SMILES notation for 2-[2-[4-(2-phenylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-4-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole?

The canonical SMILES for 2-[2-[4-(2-phenylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-4-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole is Cc1cc(C)c(-c2ccnc(-n3c4ccccc4c4ccc(Oc5cc(-c6nncn6-c6ccccc6-c6ccccc6)cc6c5oc5ccccc56)cc43)c2)c(C)c1.

What is the InChIKey of 2-[2-[4-(2-phenylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-4-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole?

The InChIKey is IWICSPOJRUPNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N5O2/c1-32-25-33(2)50(34(3)26-32)36-23-24-53-49(29-36)57-45-19-11-8-16-40(45)41-22-21-38(30-46(41)57)58-48-28-37(27-43-42-17-9-12-20-47(42)59-51(43)48)52-55-54-31-56(52)44-18-10-7-15-39(44)35-13-5-4-6-14-35/h4-31H,1-3H3.

What are the key properties of 2-[2-[4-(2-phenylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-4-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole?

2-[2-[4-(2-phenylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-4-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole has a molecular weight of 763.90 g/mol, XLogP of 13.38, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(2-phenylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-4-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 163523231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).