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

C59H47N5 — CID 167268838

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

11-[3-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 167268838) has the molecular formula C59H47N5 and a molecular weight of 826.06 g/mol. Its IUPAC name is 11-[3-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-[3-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 167268838
• Molecular Formula: C59H47N5
• Molecular Weight: 826.06 g/mol
• Exact Mass: 825.38
• IUPAC Name: 11-[3-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• SMILES: CC1C(C)(C)c2ccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccccc9)c8)n7)c6c54)c3)cc2C1(C)C
• InChI: InChI=1S/C59H47N5/c1-37-58(2,3)49-33-30-42(36-50(49)59(37,4)5)41-23-17-25-44(35-41)63-51-28-14-12-26-45(51)47-31-32-48-46-27-13-15-29-52(46)64(54(48)53(47)63)57-61-55(39-20-10-7-11-21-39)60-56(62-57)43-24-16-22-40(34-43)38-18-8-6-9-19-38/h6-37H,1-5H3
• InChIKey: OAJWGRVKFOWVCZ-UHFFFAOYSA-N
• XLogP: 14.94
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	826.06
LogP ≤ 5	14.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 11-[3-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 167268838) is 11-[3-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

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

The canonical SMILES for 11-[3-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is CC1C(C)(C)c2ccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccccc9)c8)n7)c6c54)c3)cc2C1(C)C.

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

The InChIKey is OAJWGRVKFOWVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H47N5/c1-37-58(2,3)49-33-30-42(36-50(49)59(37,4)5)41-23-17-25-44(35-41)63-51-28-14-12-26-45(51)47-31-32-48-46-27-13-15-29-52(46)64(54(48)53(47)63)57-61-55(39-20-10-7-11-21-39)60-56(62-57)43-24-16-22-40(34-43)38-18-8-6-9-19-38/h6-37H,1-5H3.

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

11-[3-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 826.06 g/mol, XLogP of 14.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 167268838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).