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

C48H40FN5 — CID 167268447

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

5-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indolo[2,3-b]carbazole (PubChem CID 167268447) has the molecular formula C48H40FN5 and a molecular weight of 705.88 g/mol. Its IUPAC name is 5-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indolo[2,3-b]carbazole
• PubChem CID: 167268447
• Molecular Formula: C48H40FN5
• Molecular Weight: 705.88 g/mol
• Exact Mass: 705.33
• IUPAC Name: 5-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indolo[2,3-b]carbazole
• SMILES: CC1CC(C)(C)c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc(F)c7)n6)c5cc43)ccc2C1(C)C
• InChI: InChI=1S/C48H40FN5/c1-29-28-47(2,3)39-25-33(22-23-38(39)48(29,4)5)53-40-20-11-9-18-34(40)36-26-37-35-19-10-12-21-41(35)54(43(37)27-42(36)53)46-51-44(30-14-7-6-8-15-30)50-45(52-46)31-16-13-17-32(49)24-31/h6-27,29H,28H2,1-5H3
• InChIKey: KHZUCKPVLJKCGF-UHFFFAOYSA-N
• XLogP: 12.13
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.88
LogP ≤ 5	12.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indolo[2,3-b]carbazole (CID 167268447) is 5-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indolo[2,3-b]carbazole.

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

The canonical SMILES for 5-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indolo[2,3-b]carbazole is CC1CC(C)(C)c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc(F)c7)n6)c5cc43)ccc2C1(C)C.

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

The InChIKey is KHZUCKPVLJKCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40FN5/c1-29-28-47(2,3)39-25-33(22-23-38(39)48(29,4)5)53-40-20-11-9-18-34(40)36-26-37-35-19-10-12-21-41(35)54(43(37)27-42(36)53)46-51-44(30-14-7-6-8-15-30)50-45(52-46)31-16-13-17-32(49)24-31/h6-27,29H,28H2,1-5H3.

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

5-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indolo[2,3-b]carbazole has a molecular weight of 705.88 g/mol, XLogP of 12.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indolo[2,3-b]carbazole is sourced from PubChem (CID 167268447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).