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

C52H34N6S — CID 146513273

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

2-phenyl-9-[4-phenyl-6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 146513273) has the molecular formula C52H34N6S and a molecular weight of 774.95 g/mol. Its IUPAC name is 2-phenyl-9-[4-phenyl-6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 2-phenyl-9-[4-phenyl-6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 146513273
• Molecular Formula: C52H34N6S
• Molecular Weight: 774.95 g/mol
• Exact Mass: 774.26
• IUPAC Name: 2-phenyl-9-[4-phenyl-6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]carbazole
• SMILES: c1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5cccc6c5sc5c(C7Nc8ccccc8N7c7ccccc7)cccc56)n4)c3c2)cc1
• InChI: InChI=1S/C52H34N6S/c1-4-16-33(17-5-1)35-30-31-38-37-22-10-12-28-44(37)58(46(38)32-35)52-55-49(34-18-6-2-7-19-34)54-50(56-52)41-25-14-23-39-40-24-15-26-42(48(40)59-47(39)41)51-53-43-27-11-13-29-45(43)57(51)36-20-8-3-9-21-36/h1-32,51,53H
• InChIKey: UTRHCWWSMKAENQ-UHFFFAOYSA-N
• XLogP: 13.60
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.95
LogP ≤ 5	13.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-phenyl-9-[4-phenyl-6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]carbazole (CID 146513273) is 2-phenyl-9-[4-phenyl-6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]carbazole.

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

The canonical SMILES for 2-phenyl-9-[4-phenyl-6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5cccc6c5sc5c(C7Nc8ccccc8N7c7ccccc7)cccc56)n4)c3c2)cc1.

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

The InChIKey is UTRHCWWSMKAENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N6S/c1-4-16-33(17-5-1)35-30-31-38-37-22-10-12-28-44(37)58(46(38)32-35)52-55-49(34-18-6-2-7-19-34)54-50(56-52)41-25-14-23-39-40-24-15-26-42(48(40)59-47(39)41)51-53-43-27-11-13-29-45(43)57(51)36-20-8-3-9-21-36/h1-32,51,53H.

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

2-phenyl-9-[4-phenyl-6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 774.95 g/mol, XLogP of 13.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-9-[4-phenyl-6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 146513273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).