7-[4-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine

C105H93F6N5O2S3 — CID 177395138

About 7-[4-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine

7-[4-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine (PubChem CID 177395138) has the molecular formula C105H93F6N5O2S3 and a molecular weight of 1667.12 g/mol. Its IUPAC name is 7-[4-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: 7-[4-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine
• PubChem CID: 177395138
• Molecular Formula: C105H93F6N5O2S3
• Molecular Weight: 1667.12 g/mol
• Exact Mass: 1665.64
• IUPAC Name: 7-[4-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(COc4ccc(-c5cc(C6=C(c7cc(-c8ccc(OCc9ccc(-c%10cnc(-c%11ccc(N(c%12ccccc%12)c%12ccccc%12)cc%11)c%11nsnc%10%11)cc9)cc8)sc7C)C(F)(F)C(F)(F)C6(F)F)c(C)s5)cc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C105H93F6N5O2S3/c1-5-7-9-11-13-27-61-102(62-28-14-12-10-8-6-2)93-63-79(51-59-88(93)89-60-54-85(64-94(89)102)116(82-33-23-17-24-34-82)83-35-25-18-26-36-83)74-41-37-72(38-42-74)68-117-86-55-47-76(48-56-86)95-65-90(70(3)119-95)97-98(104(108,109)105(110,111)103(97,106)107)91-66-96(120-71(91)4)77-49-57-87(58-50-77)118-69-73-39-43-75(44-40-73)92-67-112-99(101-100(92)113-121-114-101)78-45-52-84(53-46-78)115(80-29-19-15-20-30-80)81-31-21-16-22-32-81/h15-26,29-60,63-67H,5-14,27-28,61-62,68-69H2,1-4H3
• InChIKey: CSUPJKOPVRDPRS-UHFFFAOYSA-N
• XLogP: 31.86
• TPSA: 63.61 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 33
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1667.12
LogP ≤ 5	31.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[4-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine?

The IUPAC name of 7-[4-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine (CID 177395138) is 7-[4-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine.

What is the SMILES notation for 7-[4-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine?

The canonical SMILES for 7-[4-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine is CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(COc4ccc(-c5cc(C6=C(c7cc(-c8ccc(OCc9ccc(-c%10cnc(-c%11ccc(N(c%12ccccc%12)c%12ccccc%12)cc%11)c%11nsnc%10%11)cc9)cc8)sc7C)C(F)(F)C(F)(F)C6(F)F)c(C)s5)cc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of 7-[4-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine?

The InChIKey is CSUPJKOPVRDPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H93F6N5O2S3/c1-5-7-9-11-13-27-61-102(62-28-14-12-10-8-6-2)93-63-79(51-59-88(93)89-60-54-85(64-94(89)102)116(82-33-23-17-24-34-82)83-35-25-18-26-36-83)74-41-37-72(38-42-74)68-117-86-55-47-76(48-56-86)95-65-90(70(3)119-95)97-98(104(108,109)105(110,111)103(97,106)107)91-66-96(120-71(91)4)77-49-57-87(58-50-77)118-69-73-39-43-75(44-40-73)92-67-112-99(101-100(92)113-121-114-101)78-45-52-84(53-46-78)115(80-29-19-15-20-30-80)81-31-21-16-22-32-81/h15-26,29-60,63-67H,5-14,27-28,61-62,68-69H2,1-4H3.

What are the key properties of 7-[4-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine?

7-[4-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine has a molecular weight of 1667.12 g/mol, XLogP of 31.86, 33 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 177395138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).