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

C54H45N5 — CID 167268793

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

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole (PubChem CID 167268793) has the molecular formula C54H45N5 and a molecular weight of 763.99 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole
• PubChem CID: 167268793
• Molecular Formula: C54H45N5
• Molecular Weight: 763.99 g/mol
• Exact Mass: 763.37
• IUPAC Name: 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole
• SMILES: CC1CC(C)(C)c2cc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)ccc2C1(C)C
• InChI: InChI=1S/C54H45N5/c1-34-33-53(2,3)44-32-37(28-31-43(44)54(34,4)5)38-22-12-15-25-45(38)58-46-26-16-13-23-39(46)41-29-30-42-40-24-14-17-27-47(40)59(49(42)48(41)58)52-56-50(35-18-8-6-9-19-35)55-51(57-52)36-20-10-7-11-21-36/h6-32,34H,33H2,1-5H3
• InChIKey: LVWJRIWDIYYDSM-UHFFFAOYSA-N
• XLogP: 13.66
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.99
LogP ≤ 5	13.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole (CID 167268793) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole.

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

The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole is CC1CC(C)(C)c2cc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)ccc2C1(C)C.

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

The InChIKey is LVWJRIWDIYYDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45N5/c1-34-33-53(2,3)44-32-37(28-31-43(44)54(34,4)5)38-22-12-15-25-45(38)58-46-26-16-13-23-39(46)41-29-30-42-40-24-14-17-27-47(40)59(49(42)48(41)58)52-56-50(35-18-8-6-9-19-35)55-51(57-52)36-20-10-7-11-21-36/h6-32,34H,33H2,1-5H3.

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

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 763.99 g/mol, XLogP of 13.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 167268793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).