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

C53H31N5O — CID 167347702

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

5-[4-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole (PubChem CID 167347702) has the molecular formula C53H31N5O and a molecular weight of 753.87 g/mol. Its IUPAC name is 5-[4-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[4-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
• PubChem CID: 167347702
• Molecular Formula: C53H31N5O
• Molecular Weight: 753.87 g/mol
• Exact Mass: 753.25
• IUPAC Name: 5-[4-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
• SMILES: c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2c(oc3ccccc32)c1-c1nc(-c2cccc3ccccc23)nc(-n2c3ccccc3c3ccccc32)n1
• InChI: InChI=1S/C53H31N5O/c1-2-16-34-31-47-42(30-33(34)15-1)38-21-7-9-24-43(38)57(47)46-29-28-40-39-22-8-12-27-48(39)59-50(40)49(46)52-54-51(41-23-13-17-32-14-3-4-18-35(32)41)55-53(56-52)58-44-25-10-5-19-36(44)37-20-6-11-26-45(37)58/h1-31H
• InChIKey: DHKUTAWBDLJAAI-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.87
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[4-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole (CID 167347702) is 5-[4-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[4-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2c(oc3ccccc32)c1-c1nc(-c2cccc3ccccc23)nc(-n2c3ccccc3c3ccccc32)n1.

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

The InChIKey is DHKUTAWBDLJAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N5O/c1-2-16-34-31-47-42(30-33(34)15-1)38-21-7-9-24-43(38)57(47)46-29-28-40-39-22-8-12-27-48(39)59-50(40)49(46)52-54-51(41-23-13-17-32-14-3-4-18-35(32)41)55-53(56-52)58-44-25-10-5-19-36(44)37-20-6-11-26-45(37)58/h1-31H.

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

5-[4-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole has a molecular weight of 753.87 g/mol, XLogP of 13.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 167347702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).