10,36-bis(4-fluorophenyl)hexadecacyclo[25.25.2.22,5.228,31.03,23.04,20.06,19.07,12.013,18.024,53.029,49.030,46.032,45.033,38.039,44.050,54]octapentaconta-1(53),2(58),3(23),4(20),5(57),6(19),7(12),8,10,13,15,17,21,24,26,28(56),29(49),30(46),31(55),32(45),33(38),34,36,39,41,43,47,50(54),51-nonacosaene

C70H34F2 — CID 147406624

About 10,36-bis(4-fluorophenyl)hexadecacyclo[25.25.2.22,5.228,31.03,23.04,20.06,19.07,12.013,18.024,53.029,49.030,46.032,45.033,38.039,44.050,54]octapentaconta-1(53),2(58),3(23),4(20),5(57),6(19),7(12),8,10,13,15,17,21,24,26,28(56),29(49),30(46),31(55),32(45),33(38),34,36,39,41,43,47,50(54),51-nonacosaene

10,36-bis(4-fluorophenyl)hexadecacyclo[25.25.2.22,5.228,31.03,23.04,20.06,19.07,12.013,18.024,53.029,49.030,46.032,45.033,38.039,44.050,54]octapentaconta-1(53),2(58),3(23),4(20),5(57),6(19),7(12),8,10,13,15,17,21,24,26,28(56),29(49),30(46),31(55),32(45),33(38),34,36,39,41,43,47,50(54),51-nonacosaene (PubChem CID 147406624) has the molecular formula C70H34F2 and a molecular weight of 913.04 g/mol. Its IUPAC name is 10,36-bis(4-fluorophenyl)hexadecacyclo[25.25.2.22,5.228,31.03,23.04,20.06,19.07,12.013,18.024,53.029,49.030,46.032,45.033,38.039,44.050,54]octapentaconta-1(53),2(58),3(23),4(20),5(57),6(19),7(12),8,10,13,15,17,21,24,26,28(56),29(49),30(46),31(55),32(45),33(38),34,36,39,41,43,47,50(54),51-nonacosaene.

Molecular Properties

• Compound Name: 10,36-bis(4-fluorophenyl)hexadecacyclo[25.25.2.22,5.228,31.03,23.04,20.06,19.07,12.013,18.024,53.029,49.030,46.032,45.033,38.039,44.050,54]octapentaconta-1(53),2(58),3(23),4(20),5(57),6(19),7(12),8,10,13,15,17,21,24,26,28(56),29(49),30(46),31(55),32(45),33(38),34,36,39,41,43,47,50(54),51-nonacosaene
• PubChem CID: 147406624
• Molecular Formula: C70H34F2
• Molecular Weight: 913.04 g/mol
• Exact Mass: 912.26
• IUPAC Name: 10,36-bis(4-fluorophenyl)hexadecacyclo[25.25.2.22,5.228,31.03,23.04,20.06,19.07,12.013,18.024,53.029,49.030,46.032,45.033,38.039,44.050,54]octapentaconta-1(53),2(58),3(23),4(20),5(57),6(19),7(12),8,10,13,15,17,21,24,26,28(56),29(49),30(46),31(55),32(45),33(38),34,36,39,41,43,47,50(54),51-nonacosaene
• SMILES: Fc1ccc(-c2ccc3c4c(c5ccccc5c3c2)-c2ccc3c5ccc6c7ccc8c9c(ccc(c%10ccc(c%11ccc-4c2c3%11)c5c%106)c97)-c2c-8c3ccc(-c4ccc(F)cc4)cc3c3ccccc23)cc1
• InChI: InChI=1S/C70H34F2/c71-39-15-9-35(10-16-39)37-13-19-53-59(33-37)41-5-1-3-7-43(41)65-55-29-25-49-45-21-24-48-52-28-32-58-68-54-20-14-38(36-11-17-40(72)18-12-36)34-60(54)42-6-2-4-8-44(42)66(68)56-30-26-50(64(52)70(56)58)46-22-23-47(61(45)62(46)48)51-27-31-57(67(53)65)69(55)63(49)51/h1-34H
• InChIKey: DPUFRVPNVCGUHR-UHFFFAOYSA-N
• XLogP: 20.15
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.04
LogP ≤ 5	20.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10,36-bis(4-fluorophenyl)hexadecacyclo[25.25.2.22,5.228,31.03,23.04,20.06,19.07,12.013,18.024,53.029,49.030,46.032,45.033,38.039,44.050,54]octapentaconta-1(53),2(58),3(23),4(20),5(57),6(19),7(12),8,10,13,15,17,21,24,26,28(56),29(49),30(46),31(55),32(45),33(38),34,36,39,41,43,47,50(54),51-nonacosaene?

The IUPAC name of 10,36-bis(4-fluorophenyl)hexadecacyclo[25.25.2.22,5.228,31.03,23.04,20.06,19.07,12.013,18.024,53.029,49.030,46.032,45.033,38.039,44.050,54]octapentaconta-1(53),2(58),3(23),4(20),5(57),6(19),7(12),8,10,13,15,17,21,24,26,28(56),29(49),30(46),31(55),32(45),33(38),34,36,39,41,43,47,50(54),51-nonacosaene (CID 147406624) is 10,36-bis(4-fluorophenyl)hexadecacyclo[25.25.2.22,5.228,31.03,23.04,20.06,19.07,12.013,18.024,53.029,49.030,46.032,45.033,38.039,44.050,54]octapentaconta-1(53),2(58),3(23),4(20),5(57),6(19),7(12),8,10,13,15,17,21,24,26,28(56),29(49),30(46),31(55),32(45),33(38),34,36,39,41,43,47,50(54),51-nonacosaene.

What is the SMILES notation for 10,36-bis(4-fluorophenyl)hexadecacyclo[25.25.2.22,5.228,31.03,23.04,20.06,19.07,12.013,18.024,53.029,49.030,46.032,45.033,38.039,44.050,54]octapentaconta-1(53),2(58),3(23),4(20),5(57),6(19),7(12),8,10,13,15,17,21,24,26,28(56),29(49),30(46),31(55),32(45),33(38),34,36,39,41,43,47,50(54),51-nonacosaene?

The canonical SMILES for 10,36-bis(4-fluorophenyl)hexadecacyclo[25.25.2.22,5.228,31.03,23.04,20.06,19.07,12.013,18.024,53.029,49.030,46.032,45.033,38.039,44.050,54]octapentaconta-1(53),2(58),3(23),4(20),5(57),6(19),7(12),8,10,13,15,17,21,24,26,28(56),29(49),30(46),31(55),32(45),33(38),34,36,39,41,43,47,50(54),51-nonacosaene is Fc1ccc(-c2ccc3c4c(c5ccccc5c3c2)-c2ccc3c5ccc6c7ccc8c9c(ccc(c%10ccc(c%11ccc-4c2c3%11)c5c%106)c97)-c2c-8c3ccc(-c4ccc(F)cc4)cc3c3ccccc23)cc1.

What is the InChIKey of 10,36-bis(4-fluorophenyl)hexadecacyclo[25.25.2.22,5.228,31.03,23.04,20.06,19.07,12.013,18.024,53.029,49.030,46.032,45.033,38.039,44.050,54]octapentaconta-1(53),2(58),3(23),4(20),5(57),6(19),7(12),8,10,13,15,17,21,24,26,28(56),29(49),30(46),31(55),32(45),33(38),34,36,39,41,43,47,50(54),51-nonacosaene?

The InChIKey is DPUFRVPNVCGUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H34F2/c71-39-15-9-35(10-16-39)37-13-19-53-59(33-37)41-5-1-3-7-43(41)65-55-29-25-49-45-21-24-48-52-28-32-58-68-54-20-14-38(36-11-17-40(72)18-12-36)34-60(54)42-6-2-4-8-44(42)66(68)56-30-26-50(64(52)70(56)58)46-22-23-47(61(45)62(46)48)51-27-31-57(67(53)65)69(55)63(49)51/h1-34H.

What are the key properties of 10,36-bis(4-fluorophenyl)hexadecacyclo[25.25.2.22,5.228,31.03,23.04,20.06,19.07,12.013,18.024,53.029,49.030,46.032,45.033,38.039,44.050,54]octapentaconta-1(53),2(58),3(23),4(20),5(57),6(19),7(12),8,10,13,15,17,21,24,26,28(56),29(49),30(46),31(55),32(45),33(38),34,36,39,41,43,47,50(54),51-nonacosaene?

10,36-bis(4-fluorophenyl)hexadecacyclo[25.25.2.22,5.228,31.03,23.04,20.06,19.07,12.013,18.024,53.029,49.030,46.032,45.033,38.039,44.050,54]octapentaconta-1(53),2(58),3(23),4(20),5(57),6(19),7(12),8,10,13,15,17,21,24,26,28(56),29(49),30(46),31(55),32(45),33(38),34,36,39,41,43,47,50(54),51-nonacosaene has a molecular weight of 913.04 g/mol, XLogP of 20.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 10,36-bis(4-fluorophenyl)hexadecacyclo[25.25.2.22,5.228,31.03,23.04,20.06,19.07,12.013,18.024,53.029,49.030,46.032,45.033,38.039,44.050,54]octapentaconta-1(53),2(58),3(23),4(20),5(57),6(19),7(12),8,10,13,15,17,21,24,26,28(56),29(49),30(46),31(55),32(45),33(38),34,36,39,41,43,47,50(54),51-nonacosaene is sourced from PubChem (CID 147406624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).