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

C60H41N5 — CID 165165441

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

12-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole (PubChem CID 165165441) has the molecular formula C60H41N5 and a molecular weight of 832.02 g/mol. Its IUPAC name is 12-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole
• PubChem CID: 165165441
• Molecular Formula: C60H41N5
• Molecular Weight: 832.02 g/mol
• Exact Mass: 831.34
• IUPAC Name: 12-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8-c8ccccc8)c7)c6c54)n3)ccc21
• InChI: InChI=1S/C60H41N5/c1-60(2)51-29-14-11-26-45(51)50-37-41(32-35-52(50)60)58-61-57(39-20-7-4-8-21-39)62-59(63-58)65-54-31-16-13-28-47(54)49-34-33-48-46-27-12-15-30-53(46)64(55(48)56(49)65)42-23-17-22-40(36-42)44-25-10-9-24-43(44)38-18-5-3-6-19-38/h3-37H,1-2H3
• InChIKey: AFNNWAVIEOHHCK-UHFFFAOYSA-N
• XLogP: 15.04
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.02
LogP ≤ 5	15.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 12-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole (CID 165165441) is 12-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole.

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

The canonical SMILES for 12-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole is CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8-c8ccccc8)c7)c6c54)n3)ccc21.

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

The InChIKey is AFNNWAVIEOHHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N5/c1-60(2)51-29-14-11-26-45(51)50-37-41(32-35-52(50)60)58-61-57(39-20-7-4-8-21-39)62-59(63-58)65-54-31-16-13-28-47(54)49-34-33-48-46-27-12-15-30-53(46)64(55(48)56(49)65)42-23-17-22-40(36-42)44-25-10-9-24-43(44)38-18-5-3-6-19-38/h3-37H,1-2H3.

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

12-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 832.02 g/mol, XLogP of 15.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 165165441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).