12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole

C54H44FN5 — CID 167267925

About 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole

12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole (PubChem CID 167267925) has the molecular formula C54H44FN5 and a molecular weight of 781.98 g/mol. Its IUPAC name is 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole
• PubChem CID: 167267925
• Molecular Formula: C54H44FN5
• Molecular Weight: 781.98 g/mol
• Exact Mass: 781.36
• IUPAC Name: 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole
• SMILES: CC1CC(C)(C)c2c(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7F)n6)c5c43)cccc2C1(C)C
• InChI: InChI=1S/C54H44FN5/c1-33-32-53(2,3)47-38(24-17-25-42(47)54(33,4)5)35-20-10-14-27-44(35)59-45-28-15-11-21-36(45)39-30-31-40-37-22-12-16-29-46(37)60(49(40)48(39)59)52-57-50(34-18-7-6-8-19-34)56-51(58-52)41-23-9-13-26-43(41)55/h6-31,33H,32H2,1-5H3
• InChIKey: MIMAXUHDMLTCPY-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.98
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole?

The IUPAC name of 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole (CID 167267925) is 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole.

What is the SMILES notation for 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole?

The canonical SMILES for 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole is CC1CC(C)(C)c2c(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7F)n6)c5c43)cccc2C1(C)C.

What is the InChIKey of 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole?

The InChIKey is MIMAXUHDMLTCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44FN5/c1-33-32-53(2,3)47-38(24-17-25-42(47)54(33,4)5)35-20-10-14-27-44(35)59-45-28-15-11-21-36(45)39-30-31-40-37-22-12-16-29-46(37)60(49(40)48(39)59)52-57-50(34-18-7-6-8-19-34)56-51(58-52)41-23-9-13-26-43(41)55/h6-31,33H,32H2,1-5H3.

What are the key properties of 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole?

12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 781.98 g/mol, XLogP of 13.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 167267925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).