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

C64H49N5 — CID 167268675

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

12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-a]carbazole (PubChem CID 167268675) has the molecular formula C64H49N5 and a molecular weight of 888.13 g/mol. Its IUPAC name is 12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-a]carbazole
• PubChem CID: 167268675
• Molecular Formula: C64H49N5
• Molecular Weight: 888.13 g/mol
• Exact Mass: 887.40
• IUPAC Name: 12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-a]carbazole
• SMILES: CC1(C)CC(C)(C)c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9cccc(-c%10ccccc%10)c9)n8)c7c65)cc4)cc3)ccc21
• InChI: InChI=1S/C64H49N5/c1-63(2)40-64(3,4)55-39-47(32-37-54(55)63)44-28-26-42(27-29-44)43-30-33-49(34-31-43)68-56-24-13-11-22-50(56)52-35-36-53-51-23-12-14-25-57(51)69(59(53)58(52)68)62-66-60(45-18-9-6-10-19-45)65-61(67-62)48-21-15-20-46(38-48)41-16-7-5-8-17-41/h5-39H,40H2,1-4H3
• InChIKey: AHMVIOGOFQZHKX-UHFFFAOYSA-N
• XLogP: 16.36
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	888.13
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-a]carbazole (CID 167268675) is 12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-a]carbazole.

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

The canonical SMILES for 12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-a]carbazole is CC1(C)CC(C)(C)c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9cccc(-c%10ccccc%10)c9)n8)c7c65)cc4)cc3)ccc21.

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

The InChIKey is AHMVIOGOFQZHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49N5/c1-63(2)40-64(3,4)55-39-47(32-37-54(55)63)44-28-26-42(27-29-44)43-30-33-49(34-31-43)68-56-24-13-11-22-50(56)52-35-36-53-51-23-12-14-25-57(51)69(59(53)58(52)68)62-66-60(45-18-9-6-10-19-45)65-61(67-62)48-21-15-20-46(38-48)41-16-7-5-8-17-41/h5-39H,40H2,1-4H3.

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

12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-a]carbazole has a molecular weight of 888.13 g/mol, XLogP of 16.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 167268675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).