8-[3-[6-[3-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-7H-benzo[c]carbazole

C55H31ClN4O2 — CID 142568610

About 8-[3-[6-[3-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-7H-benzo[c]carbazole

8-[3-[6-[3-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-7H-benzo[c]carbazole (PubChem CID 142568610) has the molecular formula C55H31ClN4O2 and a molecular weight of 815.33 g/mol. Its IUPAC name is 8-[3-[6-[3-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-7H-benzo[c]carbazole.

Molecular Properties

• Compound Name: 8-[3-[6-[3-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-7H-benzo[c]carbazole
• PubChem CID: 142568610
• Molecular Formula: C55H31ClN4O2
• Molecular Weight: 815.33 g/mol
• Exact Mass: 814.21
• IUPAC Name: 8-[3-[6-[3-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-7H-benzo[c]carbazole
• SMILES: Clc1nc(-c2cccc(-c3cccc4c3oc3ccc(-c5cccc(-c6cccc7c6[nH]c6ccc8ccccc8c67)c5)cc34)c2)nc(-c2ccc3c(c2)oc2ccccc23)n1
• InChI: InChI=1S/C55H31ClN4O2/c56-55-59-53(58-54(60-55)37-21-24-42-41-15-3-4-20-47(41)61-49(42)30-37)36-13-6-12-35(28-36)40-17-8-18-43-45-29-33(23-26-48(45)62-52(40)43)32-10-5-11-34(27-32)39-16-7-19-44-50-38-14-2-1-9-31(38)22-25-46(50)57-51(39)44/h1-30,57H
• InChIKey: OQTBRJOGEDULLL-UHFFFAOYSA-N
• XLogP: 15.45
• TPSA: 80.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.33
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-[3-[6-[3-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-7H-benzo[c]carbazole?

The IUPAC name of 8-[3-[6-[3-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-7H-benzo[c]carbazole (CID 142568610) is 8-[3-[6-[3-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-7H-benzo[c]carbazole.

What is the SMILES notation for 8-[3-[6-[3-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-7H-benzo[c]carbazole?

The canonical SMILES for 8-[3-[6-[3-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-7H-benzo[c]carbazole is Clc1nc(-c2cccc(-c3cccc4c3oc3ccc(-c5cccc(-c6cccc7c6[nH]c6ccc8ccccc8c67)c5)cc34)c2)nc(-c2ccc3c(c2)oc2ccccc23)n1.

What is the InChIKey of 8-[3-[6-[3-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-7H-benzo[c]carbazole?

The InChIKey is OQTBRJOGEDULLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H31ClN4O2/c56-55-59-53(58-54(60-55)37-21-24-42-41-15-3-4-20-47(41)61-49(42)30-37)36-13-6-12-35(28-36)40-17-8-18-43-45-29-33(23-26-48(45)62-52(40)43)32-10-5-11-34(27-32)39-16-7-19-44-50-38-14-2-1-9-31(38)22-25-46(50)57-51(39)44/h1-30,57H.

What are the key properties of 8-[3-[6-[3-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-7H-benzo[c]carbazole?

8-[3-[6-[3-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-7H-benzo[c]carbazole has a molecular weight of 815.33 g/mol, XLogP of 15.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[6-[3-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-7H-benzo[c]carbazole is sourced from PubChem (CID 142568610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).