12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole

C57H35N5S — CID 165165566

About 12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole

12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole (PubChem CID 165165566) has the molecular formula C57H35N5S and a molecular weight of 822.01 g/mol. Its IUPAC name is 12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
• PubChem CID: 165165566
• Molecular Formula: C57H35N5S
• Molecular Weight: 822.01 g/mol
• Exact Mass: 821.26
• IUPAC Name: 12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccc9sc%10ccccc%10c9c8)n7)c6c54)c3)c2)cc1
• InChI: InChI=1S/C57H35N5S/c1-3-15-36(16-4-1)38-19-13-20-39(33-38)40-21-14-22-42(34-40)61-49-26-10-7-23-43(49)46-30-31-47-44-24-8-11-27-50(44)62(54(47)53(46)61)57-59-55(37-17-5-2-6-18-37)58-56(60-57)41-29-32-52-48(35-41)45-25-9-12-28-51(45)63-52/h1-35H
• InChIKey: HXGUEBJPVPWRQH-UHFFFAOYSA-N
• XLogP: 15.10
• TPSA: 48.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.01
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole?

The IUPAC name of 12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole (CID 165165566) is 12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole.

What is the SMILES notation for 12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole?

The canonical SMILES for 12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole is c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccc9sc%10ccccc%10c9c8)n7)c6c54)c3)c2)cc1.

What is the InChIKey of 12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole?

The InChIKey is HXGUEBJPVPWRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5S/c1-3-15-36(16-4-1)38-19-13-20-39(33-38)40-21-14-22-42(34-40)61-49-26-10-7-23-43(49)46-30-31-47-44-24-8-11-27-50(44)62(54(47)53(46)61)57-59-55(37-17-5-2-6-18-37)58-56(60-57)41-29-32-52-48(35-41)45-25-9-12-28-51(45)63-52/h1-35H.

What are the key properties of 12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole?

12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 822.01 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 165165566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).