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

C63H40N6 — CID 168729219

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

5-carbazol-9-yl-12-(3-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 168729219) has the molecular formula C63H40N6 and a molecular weight of 881.06 g/mol. Its IUPAC name is 5-carbazol-9-yl-12-(3-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 5-carbazol-9-yl-12-(3-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 168729219
• Molecular Formula: C63H40N6
• Molecular Weight: 881.06 g/mol
• Exact Mass: 880.33
• IUPAC Name: 5-carbazol-9-yl-12-(3-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)c6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c54)n3)cc2)cc1
• InChI: InChI=1S/C63H40N6/c1-4-19-41(20-5-1)43-35-37-45(38-36-43)62-64-61(44-23-8-3-9-24-44)65-63(66-62)69-55-33-16-12-29-50(55)52-40-57(68-53-31-14-10-27-48(53)49-28-11-15-32-54(49)68)58-51-30-13-17-34-56(51)67(60(58)59(52)69)47-26-18-25-46(39-47)42-21-6-2-7-22-42/h1-40H
• InChIKey: JQNNWERIXGGGKF-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 5-carbazol-9-yl-12-(3-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The IUPAC name of 5-carbazol-9-yl-12-(3-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 168729219) is 5-carbazol-9-yl-12-(3-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

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

The canonical SMILES for 5-carbazol-9-yl-12-(3-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)c6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c54)n3)cc2)cc1.

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

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

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

5-carbazol-9-yl-12-(3-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-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 5-carbazol-9-yl-12-(3-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 168729219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).