N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C65H47FN2 — CID 58131713

About N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 58131713) has the molecular formula C65H47FN2 and a molecular weight of 875.10 g/mol. Its IUPAC name is N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• PubChem CID: 58131713
• Molecular Formula: C65H47FN2
• Molecular Weight: 875.10 g/mol
• Exact Mass: 874.37
• IUPAC Name: N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• SMILES: CC1(C)c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc(F)cc4)c3cc21
• InChI: InChI=1S/C65H47FN2/c1-65(2)60-41-51(48-27-36-55(37-28-48)67(53-32-23-46(24-33-53)44-15-7-3-8-16-44)54-34-25-47(26-35-54)45-17-9-4-10-18-45)29-40-57(60)58-42-59-62(43-61(58)65)68(56-38-30-52(66)31-39-56)64(50-21-13-6-14-22-50)63(59)49-19-11-5-12-20-49/h3-43H,1-2H3
• InChIKey: DYIJKQSSGQFQNF-UHFFFAOYSA-N
• XLogP: 17.88
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.10
LogP ≤ 5	17.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 58131713) is N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

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

The canonical SMILES for N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is CC1(C)c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc(F)cc4)c3cc21.

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

The InChIKey is DYIJKQSSGQFQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47FN2/c1-65(2)60-41-51(48-27-36-55(37-28-48)67(53-32-23-46(24-33-53)44-15-7-3-8-16-44)54-34-25-47(26-35-54)45-17-9-4-10-18-45)29-40-57(60)58-42-59-62(43-61(58)65)68(56-38-30-52(66)31-39-56)64(50-21-13-6-14-22-50)63(59)49-19-11-5-12-20-49/h3-43H,1-2H3.

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

N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 875.10 g/mol, XLogP of 17.88, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 58131713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).