2,14-difluoro-12,12,24,24-tetrakis(4-hexadecylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaene

C108H152F2S4 — CID 146403657

About 2,14-difluoro-12,12,24,24-tetrakis(4-hexadecylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaene

2,14-difluoro-12,12,24,24-tetrakis(4-hexadecylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaene (PubChem CID 146403657) has the molecular formula C108H152F2S4 and a molecular weight of 1616.67 g/mol. Its IUPAC name is 2,14-difluoro-12,12,24,24-tetrakis(4-hexadecylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaene.

Molecular Properties

• Compound Name: 2,14-difluoro-12,12,24,24-tetrakis(4-hexadecylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaene
• PubChem CID: 146403657
• Molecular Formula: C108H152F2S4
• Molecular Weight: 1616.67 g/mol
• Exact Mass: 1615.07
• IUPAC Name: 2,14-difluoro-12,12,24,24-tetrakis(4-hexadecylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaene
• SMILES: CCCCCCCCCCCCCCCCc1ccc(C2(c3ccc(CCCCCCCCCCCCCCCC)cc3)c3c(F)c4c(c(F)c3-c3sc5ccsc5c32)C(c2ccc(CCCCCCCCCCCCCCCC)cc2)(c2ccc(CCCCCCCCCCCCCCCC)cc2)c2c-4sc3ccsc23)cc1
• InChI: InChI=1S/C108H152F2S4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-85-65-73-89(74-66-85)107(90-75-67-86(68-76-90)62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)97-95(105-99(107)103-93(113-105)81-83-111-103)102(110)98-96(101(97)109)106-100(104-94(114-106)82-84-112-104)108(98,91-77-69-87(70-78-91)63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)92-79-71-88(72-80-92)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h65-84H,5-64H2,1-4H3
• InChIKey: UFJFYHBQZNVNDU-UHFFFAOYSA-N
• XLogP: 37.34
• TPSA: 0.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 64
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1616.67
LogP ≤ 5	37.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,14-difluoro-12,12,24,24-tetrakis(4-hexadecylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaene?

The IUPAC name of 2,14-difluoro-12,12,24,24-tetrakis(4-hexadecylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaene (CID 146403657) is 2,14-difluoro-12,12,24,24-tetrakis(4-hexadecylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaene.

What is the SMILES notation for 2,14-difluoro-12,12,24,24-tetrakis(4-hexadecylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaene?

The canonical SMILES for 2,14-difluoro-12,12,24,24-tetrakis(4-hexadecylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaene is CCCCCCCCCCCCCCCCc1ccc(C2(c3ccc(CCCCCCCCCCCCCCCC)cc3)c3c(F)c4c(c(F)c3-c3sc5ccsc5c32)C(c2ccc(CCCCCCCCCCCCCCCC)cc2)(c2ccc(CCCCCCCCCCCCCCCC)cc2)c2c-4sc3ccsc23)cc1.

What is the InChIKey of 2,14-difluoro-12,12,24,24-tetrakis(4-hexadecylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaene?

The InChIKey is UFJFYHBQZNVNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H152F2S4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-85-65-73-89(74-66-85)107(90-75-67-86(68-76-90)62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)97-95(105-99(107)103-93(113-105)81-83-111-103)102(110)98-96(101(97)109)106-100(104-94(114-106)82-84-112-104)108(98,91-77-69-87(70-78-91)63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)92-79-71-88(72-80-92)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h65-84H,5-64H2,1-4H3.

What are the key properties of 2,14-difluoro-12,12,24,24-tetrakis(4-hexadecylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaene?

2,14-difluoro-12,12,24,24-tetrakis(4-hexadecylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaene has a molecular weight of 1616.67 g/mol, XLogP of 37.34, 64 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,14-difluoro-12,12,24,24-tetrakis(4-hexadecylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaene is sourced from PubChem (CID 146403657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).