6-[10-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-[4-[9,9-dimethyl-7-[2-(5-methyl-5,6-dihydronaphthalen-1-yl)-10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]fluoren-3-yl]phenyl]-3-phenylquinoxaline

C107H77F3N2 — CID 163511952

About 6-[10-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-[4-[9,9-dimethyl-7-[2-(5-methyl-5,6-dihydronaphthalen-1-yl)-10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]fluoren-3-yl]phenyl]-3-phenylquinoxaline

6-[10-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-[4-[9,9-dimethyl-7-[2-(5-methyl-5,6-dihydronaphthalen-1-yl)-10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]fluoren-3-yl]phenyl]-3-phenylquinoxaline (PubChem CID 163511952) has the molecular formula C107H77F3N2 and a molecular weight of 1447.80 g/mol. Its IUPAC name is 6-[10-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-[4-[9,9-dimethyl-7-[2-(5-methyl-5,6-dihydronaphthalen-1-yl)-10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]fluoren-3-yl]phenyl]-3-phenylquinoxaline.

Molecular Properties

• Compound Name: 6-[10-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-[4-[9,9-dimethyl-7-[2-(5-methyl-5,6-dihydronaphthalen-1-yl)-10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]fluoren-3-yl]phenyl]-3-phenylquinoxaline
• PubChem CID: 163511952
• Molecular Formula: C107H77F3N2
• Molecular Weight: 1447.80 g/mol
• Exact Mass: 1446.60
• IUPAC Name: 6-[10-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-[4-[9,9-dimethyl-7-[2-(5-methyl-5,6-dihydronaphthalen-1-yl)-10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]fluoren-3-yl]phenyl]-3-phenylquinoxaline
• SMILES: CC1CC=Cc2c(-c3ccc4c(-c5ccc(C(F)(F)F)cc5)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccc(-c7ccc(-c8nc9ccc(-c%10c%11ccccc%11c(-c%11ccc%12c(c%11)C(C)(C)C%11(C)C=CC=CC%12%11)c%11cc(-c%12cccc%13ccccc%12%13)ccc%10%11)cc9nc8-c8ccccc8)cc7)cc5-6)c4c3)cccc21
• InChI: InChI=1S/C107H77F3N2/c1-63-21-18-34-80-76(63)31-20-33-79(80)71-43-51-86-90(59-71)100(84-29-14-12-27-82(84)98(86)66-40-48-75(49-41-66)107(108,109)110)72-44-50-81-89-57-69(46-54-92(89)104(2,3)94(81)60-72)64-36-38-68(39-37-64)103-102(67-23-8-7-9-24-67)112-97-62-74(47-55-96(97)111-103)99-83-28-13-15-30-85(83)101(73-45-53-88-93-35-16-17-56-106(93,6)105(4,5)95(88)61-73)91-58-70(42-52-87(91)99)78-32-19-25-65-22-10-11-26-77(65)78/h7-20,22-63,93H,21H2,1-6H3
• InChIKey: DDLCDCPOXYNHLR-UHFFFAOYSA-N
• XLogP: 29.75
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1447.80
LogP ≤ 5	29.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[10-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-[4-[9,9-dimethyl-7-[2-(5-methyl-5,6-dihydronaphthalen-1-yl)-10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]fluoren-3-yl]phenyl]-3-phenylquinoxaline?

The IUPAC name of 6-[10-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-[4-[9,9-dimethyl-7-[2-(5-methyl-5,6-dihydronaphthalen-1-yl)-10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]fluoren-3-yl]phenyl]-3-phenylquinoxaline (CID 163511952) is 6-[10-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-[4-[9,9-dimethyl-7-[2-(5-methyl-5,6-dihydronaphthalen-1-yl)-10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]fluoren-3-yl]phenyl]-3-phenylquinoxaline.

What is the SMILES notation for 6-[10-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-[4-[9,9-dimethyl-7-[2-(5-methyl-5,6-dihydronaphthalen-1-yl)-10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]fluoren-3-yl]phenyl]-3-phenylquinoxaline?

The canonical SMILES for 6-[10-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-[4-[9,9-dimethyl-7-[2-(5-methyl-5,6-dihydronaphthalen-1-yl)-10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]fluoren-3-yl]phenyl]-3-phenylquinoxaline is CC1CC=Cc2c(-c3ccc4c(-c5ccc(C(F)(F)F)cc5)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccc(-c7ccc(-c8nc9ccc(-c%10c%11ccccc%11c(-c%11ccc%12c(c%11)C(C)(C)C%11(C)C=CC=CC%12%11)c%11cc(-c%12cccc%13ccccc%12%13)ccc%10%11)cc9nc8-c8ccccc8)cc7)cc5-6)c4c3)cccc21.

What is the InChIKey of 6-[10-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-[4-[9,9-dimethyl-7-[2-(5-methyl-5,6-dihydronaphthalen-1-yl)-10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]fluoren-3-yl]phenyl]-3-phenylquinoxaline?

The InChIKey is DDLCDCPOXYNHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H77F3N2/c1-63-21-18-34-80-76(63)31-20-33-79(80)71-43-51-86-90(59-71)100(84-29-14-12-27-82(84)98(86)66-40-48-75(49-41-66)107(108,109)110)72-44-50-81-89-57-69(46-54-92(89)104(2,3)94(81)60-72)64-36-38-68(39-37-64)103-102(67-23-8-7-9-24-67)112-97-62-74(47-55-96(97)111-103)99-83-28-13-15-30-85(83)101(73-45-53-88-93-35-16-17-56-106(93,6)105(4,5)95(88)61-73)91-58-70(42-52-87(91)99)78-32-19-25-65-22-10-11-26-77(65)78/h7-20,22-63,93H,21H2,1-6H3.

What are the key properties of 6-[10-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-[4-[9,9-dimethyl-7-[2-(5-methyl-5,6-dihydronaphthalen-1-yl)-10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]fluoren-3-yl]phenyl]-3-phenylquinoxaline?

6-[10-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-[4-[9,9-dimethyl-7-[2-(5-methyl-5,6-dihydronaphthalen-1-yl)-10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]fluoren-3-yl]phenyl]-3-phenylquinoxaline has a molecular weight of 1447.80 g/mol, XLogP of 29.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[10-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-[4-[9,9-dimethyl-7-[2-(5-methyl-5,6-dihydronaphthalen-1-yl)-10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]fluoren-3-yl]phenyl]-3-phenylquinoxaline is sourced from PubChem (CID 163511952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).