7-[12-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-(3-phenylphenyl)-1,3-benzoxazole

C60H36N6O — CID 166583018

About 7-[12-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-(3-phenylphenyl)-1,3-benzoxazole

7-[12-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-(3-phenylphenyl)-1,3-benzoxazole (PubChem CID 166583018) has the molecular formula C60H36N6O and a molecular weight of 856.99 g/mol. Its IUPAC name is 7-[12-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-(3-phenylphenyl)-1,3-benzoxazole.

Molecular Properties

• Compound Name: 7-[12-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-(3-phenylphenyl)-1,3-benzoxazole
• PubChem CID: 166583018
• Molecular Formula: C60H36N6O
• Molecular Weight: 856.99 g/mol
• Exact Mass: 856.30
• IUPAC Name: 7-[12-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-(3-phenylphenyl)-1,3-benzoxazole
• SMILES: c1ccc(-c2cccc(-c3nc4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccc%10ccccc%10c9)nc(-c9cccc%10ccccc9%10)n8)c7c65)c4o3)c2)cc1
• InChI: InChI=1S/C60H36N6O/c1-2-15-37(16-3-1)41-21-12-22-43(36-41)59-61-50-27-14-30-53(56(50)67-59)65-51-28-10-8-24-45(51)47-33-34-48-46-25-9-11-29-52(46)66(55(48)54(47)65)60-63-57(42-32-31-38-17-4-5-19-40(38)35-42)62-58(64-60)49-26-13-20-39-18-6-7-23-44(39)49/h1-36H
• InChIKey: UEOHLBZCGXGUCX-UHFFFAOYSA-N
• XLogP: 15.18
• TPSA: 74.56 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	856.99
LogP ≤ 5	15.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[12-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-(3-phenylphenyl)-1,3-benzoxazole?

The IUPAC name of 7-[12-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-(3-phenylphenyl)-1,3-benzoxazole (CID 166583018) is 7-[12-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-(3-phenylphenyl)-1,3-benzoxazole.

What is the SMILES notation for 7-[12-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-(3-phenylphenyl)-1,3-benzoxazole?

The canonical SMILES for 7-[12-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-(3-phenylphenyl)-1,3-benzoxazole is c1ccc(-c2cccc(-c3nc4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccc%10ccccc%10c9)nc(-c9cccc%10ccccc9%10)n8)c7c65)c4o3)c2)cc1.

What is the InChIKey of 7-[12-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-(3-phenylphenyl)-1,3-benzoxazole?

The InChIKey is UEOHLBZCGXGUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N6O/c1-2-15-37(16-3-1)41-21-12-22-43(36-41)59-61-50-27-14-30-53(56(50)67-59)65-51-28-10-8-24-45(51)47-33-34-48-46-25-9-11-29-52(46)66(55(48)54(47)65)60-63-57(42-32-31-38-17-4-5-19-40(38)35-42)62-58(64-60)49-26-13-20-39-18-6-7-23-44(39)49/h1-36H.

What are the key properties of 7-[12-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-(3-phenylphenyl)-1,3-benzoxazole?

7-[12-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-(3-phenylphenyl)-1,3-benzoxazole has a molecular weight of 856.99 g/mol, XLogP of 15.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[12-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-(3-phenylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 166583018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).