4-[4-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-N-[4-(2,6-difluorophenyl)phenyl]anilino]phenyl]-N-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-N-[4-(3,4-difluorophenyl)phenyl]aniline

C122H92F4N2O2 — CID 167019692

About 4-[4-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-N-[4-(2,6-difluorophenyl)phenyl]anilino]phenyl]-N-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-N-[4-(3,4-difluorophenyl)phenyl]aniline

4-[4-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-N-[4-(2,6-difluorophenyl)phenyl]anilino]phenyl]-N-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-N-[4-(3,4-difluorophenyl)phenyl]aniline (PubChem CID 167019692) has the molecular formula C122H92F4N2O2 and a molecular weight of 1694.08 g/mol. Its IUPAC name is 4-[4-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-N-[4-(2,6-difluorophenyl)phenyl]anilino]phenyl]-N-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-N-[4-(3,4-difluorophenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-[4-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-N-[4-(2,6-difluorophenyl)phenyl]anilino]phenyl]-N-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-N-[4-(3,4-difluorophenyl)phenyl]aniline
• PubChem CID: 167019692
• Molecular Formula: C122H92F4N2O2
• Molecular Weight: 1694.08 g/mol
• Exact Mass: 1692.71
• IUPAC Name: 4-[4-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-N-[4-(2,6-difluorophenyl)phenyl]anilino]phenyl]-N-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-N-[4-(3,4-difluorophenyl)phenyl]aniline
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccc(-c9ccc%10c(c9)C(c9ccc(Oc%11ccc(C=C)cc%11)cc9)(c9ccc(C(C)(C)C)cc9)c9ccccc9-%10)cc8)c8ccc(-c9c(F)cccc9F)cc8)cc7)cc6)c6ccc(-c7ccc(F)c(F)c7)cc6)cc5)cc43)cc2)cc1
• InChI: InChI=1S/C122H92F4N2O2/c1-9-79-22-65-102(66-23-79)129-104-69-49-94(50-70-104)121(92-45-41-90(42-46-92)119(3,4)5)110-18-13-11-16-106(110)108-73-38-87(76-112(108)121)83-30-57-98(58-31-83)127(100-61-34-85(35-62-100)89-40-75-114(123)117(126)78-89)96-53-26-81(27-54-96)82-28-55-97(56-29-82)128(101-63-36-86(37-64-101)118-115(124)20-15-21-116(118)125)99-59-32-84(33-60-99)88-39-74-109-107-17-12-14-19-111(107)122(113(109)77-88,93-47-43-91(44-48-93)120(6,7)8)95-51-71-105(72-52-95)130-103-67-24-80(10-2)25-68-103/h9-78H,1-2H2,3-8H3
• InChIKey: LTFLBMRQDSYJIV-UHFFFAOYSA-N
• XLogP: 33.71
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 21
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1694.08
LogP ≤ 5	33.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-N-[4-(2,6-difluorophenyl)phenyl]anilino]phenyl]-N-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-N-[4-(3,4-difluorophenyl)phenyl]aniline?

The IUPAC name of 4-[4-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-N-[4-(2,6-difluorophenyl)phenyl]anilino]phenyl]-N-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-N-[4-(3,4-difluorophenyl)phenyl]aniline (CID 167019692) is 4-[4-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-N-[4-(2,6-difluorophenyl)phenyl]anilino]phenyl]-N-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-N-[4-(3,4-difluorophenyl)phenyl]aniline.

What is the SMILES notation for 4-[4-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-N-[4-(2,6-difluorophenyl)phenyl]anilino]phenyl]-N-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-N-[4-(3,4-difluorophenyl)phenyl]aniline?

The canonical SMILES for 4-[4-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-N-[4-(2,6-difluorophenyl)phenyl]anilino]phenyl]-N-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-N-[4-(3,4-difluorophenyl)phenyl]aniline is C=Cc1ccc(Oc2ccc(C3(c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccc(-c9ccc%10c(c9)C(c9ccc(Oc%11ccc(C=C)cc%11)cc9)(c9ccc(C(C)(C)C)cc9)c9ccccc9-%10)cc8)c8ccc(-c9c(F)cccc9F)cc8)cc7)cc6)c6ccc(-c7ccc(F)c(F)c7)cc6)cc5)cc43)cc2)cc1.

What is the InChIKey of 4-[4-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-N-[4-(2,6-difluorophenyl)phenyl]anilino]phenyl]-N-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-N-[4-(3,4-difluorophenyl)phenyl]aniline?

The InChIKey is LTFLBMRQDSYJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H92F4N2O2/c1-9-79-22-65-102(66-23-79)129-104-69-49-94(50-70-104)121(92-45-41-90(42-46-92)119(3,4)5)110-18-13-11-16-106(110)108-73-38-87(76-112(108)121)83-30-57-98(58-31-83)127(100-61-34-85(35-62-100)89-40-75-114(123)117(126)78-89)96-53-26-81(27-54-96)82-28-55-97(56-29-82)128(101-63-36-86(37-64-101)118-115(124)20-15-21-116(118)125)99-59-32-84(33-60-99)88-39-74-109-107-17-12-14-19-111(107)122(113(109)77-88,93-47-43-91(44-48-93)120(6,7)8)95-51-71-105(72-52-95)130-103-67-24-80(10-2)25-68-103/h9-78H,1-2H2,3-8H3.

What are the key properties of 4-[4-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-N-[4-(2,6-difluorophenyl)phenyl]anilino]phenyl]-N-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-N-[4-(3,4-difluorophenyl)phenyl]aniline?

4-[4-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-N-[4-(2,6-difluorophenyl)phenyl]anilino]phenyl]-N-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-N-[4-(3,4-difluorophenyl)phenyl]aniline has a molecular weight of 1694.08 g/mol, XLogP of 33.71, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-N-[4-(2,6-difluorophenyl)phenyl]anilino]phenyl]-N-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-N-[4-(3,4-difluorophenyl)phenyl]aniline is sourced from PubChem (CID 167019692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).