9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole

C55H34N4S — CID 168831689

About 9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole

9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole (PubChem CID 168831689) has the molecular formula C55H34N4S and a molecular weight of 782.97 g/mol. Its IUPAC name is 9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole
• PubChem CID: 168831689
• Molecular Formula: C55H34N4S
• Molecular Weight: 782.97 g/mol
• Exact Mass: 782.25
• IUPAC Name: 9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)c6ccccc56)cc4)nc(-c4cccc5c4sc4ccccc45)n3)c2)cc1
• InChI: InChI=1S/C55H34N4S/c1-2-14-35(15-3-1)38-16-12-17-39(34-38)54-56-53(57-55(58-54)47-24-13-23-46-45-22-8-11-27-51(45)60-52(46)47)37-30-28-36(29-31-37)40-32-33-50(42-19-5-4-18-41(40)42)59-48-25-9-6-20-43(48)44-21-7-10-26-49(44)59/h1-34H
• InChIKey: FVYQENJWARWOIR-UHFFFAOYSA-N
• XLogP: 14.82
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.97
LogP ≤ 5	14.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole?

The IUPAC name of 9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole (CID 168831689) is 9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole.

What is the SMILES notation for 9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole?

The canonical SMILES for 9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)c6ccccc56)cc4)nc(-c4cccc5c4sc4ccccc45)n3)c2)cc1.

What is the InChIKey of 9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole?

The InChIKey is FVYQENJWARWOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4S/c1-2-14-35(15-3-1)38-16-12-17-39(34-38)54-56-53(57-55(58-54)47-24-13-23-46-45-22-8-11-27-51(45)60-52(46)47)37-30-28-36(29-31-37)40-32-33-50(42-19-5-4-18-41(40)42)59-48-25-9-6-20-43(48)44-21-7-10-26-49(44)59/h1-34H.

What are the key properties of 9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole?

9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole has a molecular weight of 782.97 g/mol, XLogP of 14.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole is sourced from PubChem (CID 168831689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).