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

C53H30N4O2 — CID 164714677

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

5-[1-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 164714677) has the molecular formula C53H30N4O2 and a molecular weight of 754.85 g/mol. Its IUPAC name is 5-[1-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[1-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
• PubChem CID: 164714677
• Molecular Formula: C53H30N4O2
• Molecular Weight: 754.85 g/mol
• Exact Mass: 754.24
• IUPAC Name: 5-[1-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
• SMILES: c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2oc3ccccc3c2c1-c1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2cccc3ccccc23)n1
• InChI: InChI=1S/C53H30N4O2/c1-2-14-33-29-44-41(28-32(33)13-1)36-17-5-8-21-42(36)57(44)43-26-27-47-49(40-19-7-10-23-46(40)58-47)50(43)53-55-51(34-24-25-38-37-18-6-9-22-45(37)59-48(38)30-34)54-52(56-53)39-20-11-15-31-12-3-4-16-35(31)39/h1-30H
• InChIKey: IYMBNTPPMZJPBR-UHFFFAOYSA-N
• XLogP: 14.07
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.85
LogP ≤ 5	14.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[1-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (CID 164714677) is 5-[1-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[1-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2oc3ccccc3c2c1-c1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2cccc3ccccc23)n1.

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

The InChIKey is IYMBNTPPMZJPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N4O2/c1-2-14-33-29-44-41(28-32(33)13-1)36-17-5-8-21-42(36)57(44)43-26-27-47-49(40-19-7-10-23-46(40)58-47)50(43)53-55-51(34-24-25-38-37-18-6-9-22-45(37)59-48(38)30-34)54-52(56-53)39-20-11-15-31-12-3-4-16-35(31)39/h1-30H.

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

5-[1-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole has a molecular weight of 754.85 g/mol, XLogP of 14.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 164714677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).