3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

C58H39N5O — CID 121419598

About 3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 121419598) has the molecular formula C58H39N5O and a molecular weight of 821.98 g/mol. Its IUPAC name is 3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

• Compound Name: 3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
• PubChem CID: 121419598
• Molecular Formula: C58H39N5O
• Molecular Weight: 821.98 g/mol
• Exact Mass: 821.32
• IUPAC Name: 3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
• SMILES: C=C1/C=C\C=C/CN(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
• InChI: InChI=1S/C58H39N5O/c1-38-16-5-4-14-35-62(44-31-27-39(28-32-44)45-23-15-24-48-47-22-11-13-26-54(47)64-55(45)48)51-33-29-42(36-49(38)51)43-30-34-53-50(37-43)46-21-10-12-25-52(46)63(53)58-60-56(40-17-6-2-7-18-40)59-57(61-58)41-19-8-3-9-20-41/h2-34,36-37H,1,35H2/b14-4-,16-5-
• InChIKey: PPLGYJLZAUIHEB-XYFDTUHRSA-N
• XLogP: 14.81
• TPSA: 59.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.98
LogP ≤ 5	14.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?

The IUPAC name of 3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 121419598) is 3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

What is the SMILES notation for 3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?

The canonical SMILES for 3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is C=C1/C=C\C=C/CN(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.

What is the InChIKey of 3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?

The InChIKey is PPLGYJLZAUIHEB-XYFDTUHRSA-N. The full InChI is InChI=1S/C58H39N5O/c1-38-16-5-4-14-35-62(44-31-27-39(28-32-44)45-23-15-24-48-47-22-11-13-26-54(47)64-55(45)48)51-33-29-42(36-49(38)51)43-30-34-53-50(37-43)46-21-10-12-25-52(46)63(53)58-60-56(40-17-6-2-7-18-40)59-57(61-58)41-19-8-3-9-20-41/h2-34,36-37H,1,35H2/b14-4-,16-5-.

What are the key properties of 3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?

3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 821.98 g/mol, XLogP of 14.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 121419598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).