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

C61H34N4OS2 — CID 155430579

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

5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 155430579) has the molecular formula C61H34N4OS2 and a molecular weight of 903.10 g/mol. Its IUPAC name is 5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
• PubChem CID: 155430579
• Molecular Formula: C61H34N4OS2
• Molecular Weight: 903.10 g/mol
• Exact Mass: 902.22
• IUPAC Name: 5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
• SMILES: c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)c(-c2cccc3oc4ccccc4c23)c1
• InChI: InChI=1S/C61H34N4OS2/c1-2-13-36-33-51-47(30-35(36)12-1)40-14-3-7-19-50(40)65(51)39-26-27-44(46(34-39)43-18-11-21-53-58(43)45-17-4-8-20-52(45)66-53)61-63-59(37-24-28-56-48(31-37)41-15-5-9-22-54(41)67-56)62-60(64-61)38-25-29-57-49(32-38)42-16-6-10-23-55(42)68-57/h1-34H
• InChIKey: QHBDTWQWIFYRHO-UHFFFAOYSA-N
• XLogP: 17.43
• TPSA: 56.74 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.10
LogP ≤ 5	17.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (CID 155430579) is 5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

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

The canonical SMILES for 5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)c(-c2cccc3oc4ccccc4c23)c1.

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

The InChIKey is QHBDTWQWIFYRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H34N4OS2/c1-2-13-36-33-51-47(30-35(36)12-1)40-14-3-7-19-50(40)65(51)39-26-27-44(46(34-39)43-18-11-21-53-58(43)45-17-4-8-20-52(45)66-53)61-63-59(37-24-28-56-48(31-37)41-15-5-9-22-54(41)67-56)62-60(64-61)38-25-29-57-49(32-38)42-16-6-10-23-55(42)68-57/h1-34H.

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

5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole has a molecular weight of 903.10 g/mol, XLogP of 17.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 155430579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).