4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine

C61H43FN2 — CID 58131699

About 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine

4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine (PubChem CID 58131699) has the molecular formula C61H43FN2 and a molecular weight of 823.03 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine.

Molecular Properties

• Compound Name: 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine
• PubChem CID: 58131699
• Molecular Formula: C61H43FN2
• Molecular Weight: 823.03 g/mol
• Exact Mass: 822.34
• IUPAC Name: 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine
• SMILES: CC1(C)c2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)c4ccccc34)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc(F)cc4)c3cc21
• InChI: InChI=1S/C61H43FN2/c1-61(2)54-37-43(47-35-36-57(51-27-15-14-26-49(47)51)63(45-23-10-5-11-24-45)56-28-16-22-40-17-12-13-25-48(40)56)29-34-50(54)52-38-53-58(39-55(52)61)64(46-32-30-44(62)31-33-46)60(42-20-8-4-9-21-42)59(53)41-18-6-3-7-19-41/h3-39H,1-2H3
• InChIKey: WDELSUUPNVKXJH-UHFFFAOYSA-N
• XLogP: 16.85
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.03
LogP ≤ 5	16.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine?

The IUPAC name of 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine (CID 58131699) is 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine.

What is the SMILES notation for 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine?

The canonical SMILES for 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine is CC1(C)c2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)c4ccccc34)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc(F)cc4)c3cc21.

What is the InChIKey of 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine?

The InChIKey is WDELSUUPNVKXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43FN2/c1-61(2)54-37-43(47-35-36-57(51-27-15-14-26-49(47)51)63(45-23-10-5-11-24-45)56-28-16-22-40-17-12-13-25-48(40)56)29-34-50(54)52-38-53-58(39-55(52)61)64(46-32-30-44(62)31-33-46)60(42-20-8-4-9-21-42)59(53)41-18-6-3-7-19-41/h3-39H,1-2H3.

What are the key properties of 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine?

4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine has a molecular weight of 823.03 g/mol, XLogP of 16.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 58131699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).