11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

C63H40N6 — CID 165165404

About 11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 165165404) has the molecular formula C63H40N6 and a molecular weight of 881.06 g/mol. Its IUPAC name is 11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 165165404
• Molecular Formula: C63H40N6
• Molecular Weight: 881.06 g/mol
• Exact Mass: 880.33
• IUPAC Name: 11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2ccc(-c3ccccc3)c(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)n6)c5c43)c2)cc1
• InChI: InChI=1S/C63H40N6/c1-5-20-41(21-6-1)44-36-37-46(42-22-7-2-8-23-42)57(40-44)68-55-34-17-14-29-48(55)51-38-39-52-49-30-15-18-35-56(49)69(60(52)59(51)68)63-65-61(43-24-9-3-10-25-43)64-62(66-63)53-32-19-31-50-47-28-13-16-33-54(47)67(58(50)53)45-26-11-4-12-27-45/h1-40H
• InChIKey: ZPBKKQNKOGIINO-UHFFFAOYSA-N
• XLogP: 15.83
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.06
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The IUPAC name of 11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 165165404) is 11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

What is the SMILES notation for 11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The canonical SMILES for 11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2ccc(-c3ccccc3)c(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)n6)c5c43)c2)cc1.

What is the InChIKey of 11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The InChIKey is ZPBKKQNKOGIINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N6/c1-5-20-41(21-6-1)44-36-37-46(42-22-7-2-8-23-42)57(40-44)68-55-34-17-14-29-48(55)51-38-39-52-49-30-15-18-35-56(49)69(60(52)59(51)68)63-65-61(43-24-9-3-10-25-43)64-62(66-63)53-32-19-31-50-47-28-13-16-33-54(47)67(58(50)53)45-26-11-4-12-27-45/h1-40H.

What are the key properties of 11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 881.06 g/mol, XLogP of 15.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 165165404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).