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

C64H51N5 — CID 167268014

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

11-[4-[3-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole (PubChem CID 167268014) has the molecular formula C64H51N5 and a molecular weight of 890.15 g/mol. Its IUPAC name is 11-[4-[3-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-[4-[3-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
• PubChem CID: 167268014
• Molecular Formula: C64H51N5
• Molecular Weight: 890.15 g/mol
• Exact Mass: 889.41
• IUPAC Name: 11-[4-[3-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
• SMILES: CC1(C)c2cccc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9cccc%10ccccc9%10)n8)c7c65)cc4)c3)c2C(C)(C)C1(C)C
• InChI: InChI=1S/C64H51N5/c1-62(2)53-30-18-28-47(56(53)63(3,4)64(62,5)6)44-24-16-23-43(39-44)40-33-35-45(36-34-40)68-54-31-14-12-26-48(54)50-37-38-51-49-27-13-15-32-55(49)69(58(51)57(50)68)61-66-59(42-20-8-7-9-21-42)65-60(67-61)52-29-17-22-41-19-10-11-25-46(41)52/h7-39H,1-6H3
• InChIKey: QQBYROHEKUMLIH-UHFFFAOYSA-N
• XLogP: 16.48
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	890.15
LogP ≤ 5	16.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 11-[4-[3-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole (CID 167268014) is 11-[4-[3-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole.

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

The canonical SMILES for 11-[4-[3-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole is CC1(C)c2cccc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9cccc%10ccccc9%10)n8)c7c65)cc4)c3)c2C(C)(C)C1(C)C.

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

The InChIKey is QQBYROHEKUMLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H51N5/c1-62(2)53-30-18-28-47(56(53)63(3,4)64(62,5)6)44-24-16-23-43(39-44)40-33-35-45(36-34-40)68-54-31-14-12-26-48(54)50-37-38-51-49-27-13-15-32-55(49)69(58(51)57(50)68)61-66-59(42-20-8-7-9-21-42)65-60(67-61)52-29-17-22-41-19-10-11-25-46(41)52/h7-39H,1-6H3.

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

11-[4-[3-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole has a molecular weight of 890.15 g/mol, XLogP of 16.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-[3-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 167268014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).