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

C63H39N5O — CID 139303494

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

9-[5-[4-(4-carbazol-9-yl-3-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole (PubChem CID 139303494) has the molecular formula C63H39N5O and a molecular weight of 882.04 g/mol. Its IUPAC name is 9-[5-[4-(4-carbazol-9-yl-3-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole.

Molecular Properties

• Compound Name: 9-[5-[4-(4-carbazol-9-yl-3-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
• PubChem CID: 139303494
• Molecular Formula: C63H39N5O
• Molecular Weight: 882.04 g/mol
• Exact Mass: 881.32
• IUPAC Name: 9-[5-[4-(4-carbazol-9-yl-3-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C63H39N5O/c1-3-17-40(18-4-1)45-34-31-44(39-58(45)68-55-28-14-9-23-48(55)49-24-10-15-29-56(49)68)63-65-61(41-19-5-2-6-20-41)64-62(66-63)43-32-35-57(67-53-26-12-7-21-46(53)47-22-8-13-27-54(47)67)51(38-43)42-33-36-60-52(37-42)50-25-11-16-30-59(50)69-60/h1-39H
• InChIKey: BQHBOMWFEVESDD-UHFFFAOYSA-N
• XLogP: 16.30
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.04
LogP ≤ 5	16.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-[5-[4-(4-carbazol-9-yl-3-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole (CID 139303494) is 9-[5-[4-(4-carbazol-9-yl-3-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole.

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

The canonical SMILES for 9-[5-[4-(4-carbazol-9-yl-3-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccccc54)c3)n2)cc1.

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

The InChIKey is BQHBOMWFEVESDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5O/c1-3-17-40(18-4-1)45-34-31-44(39-58(45)68-55-28-14-9-23-48(55)49-24-10-15-29-56(49)68)63-65-61(41-19-5-2-6-20-41)64-62(66-63)43-32-35-57(67-53-26-12-7-21-46(53)47-22-8-13-27-54(47)67)51(38-43)42-33-36-60-52(37-42)50-25-11-16-30-59(50)69-60/h1-39H.

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

9-[5-[4-(4-carbazol-9-yl-3-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole has a molecular weight of 882.04 g/mol, XLogP of 16.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-[4-(4-carbazol-9-yl-3-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole is sourced from PubChem (CID 139303494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).