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

C60H49N5 — CID 167268031

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

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]indolo[2,3-a]carbazole (PubChem CID 167268031) has the molecular formula C60H49N5 and a molecular weight of 840.09 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]indolo[2,3-a]carbazole
• PubChem CID: 167268031
• Molecular Formula: C60H49N5
• Molecular Weight: 840.09 g/mol
• Exact Mass: 839.40
• IUPAC Name: 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]indolo[2,3-a]carbazole
• SMILES: CC1(C)c2cccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c65)cc4)cc3)c2C(C)(C)C1(C)C
• InChI: InChI=1S/C60H49N5/c1-58(2)49-25-17-24-44(52(49)59(3,4)60(58,5)6)40-30-28-38(29-31-40)39-32-34-43(35-33-39)64-50-26-15-13-22-45(50)47-36-37-48-46-23-14-16-27-51(46)65(54(48)53(47)64)57-62-55(41-18-9-7-10-19-41)61-56(63-57)42-20-11-8-12-21-42/h7-37H,1-6H3
• InChIKey: QHDUCGBUUCZLAS-UHFFFAOYSA-N
• XLogP: 15.33
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.09
LogP ≤ 5	15.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]indolo[2,3-a]carbazole (CID 167268031) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]indolo[2,3-a]carbazole.

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

The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]indolo[2,3-a]carbazole is CC1(C)c2cccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c65)cc4)cc3)c2C(C)(C)C1(C)C.

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

The InChIKey is QHDUCGBUUCZLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H49N5/c1-58(2)49-25-17-24-44(52(49)59(3,4)60(58,5)6)40-30-28-38(29-31-40)39-32-34-43(35-33-39)64-50-26-15-13-22-45(50)47-36-37-48-46-23-14-16-27-51(46)65(54(48)53(47)64)57-62-55(41-18-9-7-10-19-41)61-56(63-57)42-20-11-8-12-21-42/h7-37H,1-6H3.

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

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]indolo[2,3-a]carbazole has a molecular weight of 840.09 g/mol, XLogP of 15.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 167268031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).