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

C55H34N4S — CID 172500399

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

9-[5-[4-(5-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole (PubChem CID 172500399) has the molecular formula C55H34N4S and a molecular weight of 782.97 g/mol. Its IUPAC name is 9-[5-[4-(5-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole.

Molecular Properties

• Compound Name: 9-[5-[4-(5-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
• PubChem CID: 172500399
• Molecular Formula: C55H34N4S
• Molecular Weight: 782.97 g/mol
• Exact Mass: 782.25
• IUPAC Name: 9-[5-[4-(5-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4c(-c5cccc6c5sc5ccccc56)cccc4c3)n2)cc1
• InChI: InChI=1S/C55H34N4S/c1-3-15-35(16-4-1)41-32-30-39(34-50(41)59-48-26-10-7-20-43(48)44-21-8-11-27-49(44)59)55-57-53(36-17-5-2-6-18-36)56-54(58-55)38-29-31-40-37(33-38)19-13-23-42(40)46-24-14-25-47-45-22-9-12-28-51(45)60-52(46)47/h1-34H
• InChIKey: UYNCJDXQOYBBBQ-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-[5-[4-(5-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole?

The IUPAC name of 9-[5-[4-(5-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole (CID 172500399) is 9-[5-[4-(5-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole.

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

The canonical SMILES for 9-[5-[4-(5-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole is c1ccc(-c2nc(-c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4c(-c5cccc6c5sc5ccccc56)cccc4c3)n2)cc1.

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

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

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

9-[5-[4-(5-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]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-[5-[4-(5-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole is sourced from PubChem (CID 172500399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).