7,18-bis(2-fluorophenyl)-41-phenyltetradecacyclo[25.18.2.22,5.129,36.03,23.04,20.06,19.08,17.010,15.024,46.028,42.030,35.043,47.040,48]pentaconta-1(45),2(50),3(23),4(20),5(49),6,8,10,12,14,16,18,21,24(46),25,27(47),28,30,32,34,36(48),37,39,41,43-pentacosaene

C68H34F2 — CID 146365264

About 7,18-bis(2-fluorophenyl)-41-phenyltetradecacyclo[25.18.2.22,5.129,36.03,23.04,20.06,19.08,17.010,15.024,46.028,42.030,35.043,47.040,48]pentaconta-1(45),2(50),3(23),4(20),5(49),6,8,10,12,14,16,18,21,24(46),25,27(47),28,30,32,34,36(48),37,39,41,43-pentacosaene

7,18-bis(2-fluorophenyl)-41-phenyltetradecacyclo[25.18.2.22,5.129,36.03,23.04,20.06,19.08,17.010,15.024,46.028,42.030,35.043,47.040,48]pentaconta-1(45),2(50),3(23),4(20),5(49),6,8,10,12,14,16,18,21,24(46),25,27(47),28,30,32,34,36(48),37,39,41,43-pentacosaene (PubChem CID 146365264) has the molecular formula C68H34F2 and a molecular weight of 889.02 g/mol. Its IUPAC name is 7,18-bis(2-fluorophenyl)-41-phenyltetradecacyclo[25.18.2.22,5.129,36.03,23.04,20.06,19.08,17.010,15.024,46.028,42.030,35.043,47.040,48]pentaconta-1(45),2(50),3(23),4(20),5(49),6,8,10,12,14,16,18,21,24(46),25,27(47),28,30,32,34,36(48),37,39,41,43-pentacosaene.

Molecular Properties

• Compound Name: 7,18-bis(2-fluorophenyl)-41-phenyltetradecacyclo[25.18.2.22,5.129,36.03,23.04,20.06,19.08,17.010,15.024,46.028,42.030,35.043,47.040,48]pentaconta-1(45),2(50),3(23),4(20),5(49),6,8,10,12,14,16,18,21,24(46),25,27(47),28,30,32,34,36(48),37,39,41,43-pentacosaene
• PubChem CID: 146365264
• Molecular Formula: C68H34F2
• Molecular Weight: 889.02 g/mol
• Exact Mass: 888.26
• IUPAC Name: 7,18-bis(2-fluorophenyl)-41-phenyltetradecacyclo[25.18.2.22,5.129,36.03,23.04,20.06,19.08,17.010,15.024,46.028,42.030,35.043,47.040,48]pentaconta-1(45),2(50),3(23),4(20),5(49),6,8,10,12,14,16,18,21,24(46),25,27(47),28,30,32,34,36(48),37,39,41,43-pentacosaene
• SMILES: Fc1ccccc1-c1c2c(c(-c3ccccc3F)c3cc4ccccc4cc13)-c1ccc3c4ccc5c6c(ccc(c7ccc-2c1c73)c46)c1c(-c2ccccc2)c2cccc3c4ccccc4c(c23)c51
• InChI: InChI=1S/C68H34F2/c69-54-23-10-8-19-45(54)60-52-33-36-15-4-5-16-37(36)34-53(52)61(46-20-9-11-24-55(46)70)67-50-31-27-43-44-28-32-51-62-48(29-25-41(57(44)62)42-26-30-49(66(60)67)63(50)58(42)43)65-56(35-13-2-1-3-14-35)47-22-12-21-39-38-17-6-7-18-40(38)64(59(39)47)68(51)65/h1-34H
• InChIKey: YIYRCUPQNUASKJ-UHFFFAOYSA-N
• XLogP: 19.61
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.02
LogP ≤ 5	19.61
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 7,18-bis(2-fluorophenyl)-41-phenyltetradecacyclo[25.18.2.22,5.129,36.03,23.04,20.06,19.08,17.010,15.024,46.028,42.030,35.043,47.040,48]pentaconta-1(45),2(50),3(23),4(20),5(49),6,8,10,12,14,16,18,21,24(46),25,27(47),28,30,32,34,36(48),37,39,41,43-pentacosaene?

The IUPAC name of 7,18-bis(2-fluorophenyl)-41-phenyltetradecacyclo[25.18.2.22,5.129,36.03,23.04,20.06,19.08,17.010,15.024,46.028,42.030,35.043,47.040,48]pentaconta-1(45),2(50),3(23),4(20),5(49),6,8,10,12,14,16,18,21,24(46),25,27(47),28,30,32,34,36(48),37,39,41,43-pentacosaene (CID 146365264) is 7,18-bis(2-fluorophenyl)-41-phenyltetradecacyclo[25.18.2.22,5.129,36.03,23.04,20.06,19.08,17.010,15.024,46.028,42.030,35.043,47.040,48]pentaconta-1(45),2(50),3(23),4(20),5(49),6,8,10,12,14,16,18,21,24(46),25,27(47),28,30,32,34,36(48),37,39,41,43-pentacosaene.

What is the SMILES notation for 7,18-bis(2-fluorophenyl)-41-phenyltetradecacyclo[25.18.2.22,5.129,36.03,23.04,20.06,19.08,17.010,15.024,46.028,42.030,35.043,47.040,48]pentaconta-1(45),2(50),3(23),4(20),5(49),6,8,10,12,14,16,18,21,24(46),25,27(47),28,30,32,34,36(48),37,39,41,43-pentacosaene?

The canonical SMILES for 7,18-bis(2-fluorophenyl)-41-phenyltetradecacyclo[25.18.2.22,5.129,36.03,23.04,20.06,19.08,17.010,15.024,46.028,42.030,35.043,47.040,48]pentaconta-1(45),2(50),3(23),4(20),5(49),6,8,10,12,14,16,18,21,24(46),25,27(47),28,30,32,34,36(48),37,39,41,43-pentacosaene is Fc1ccccc1-c1c2c(c(-c3ccccc3F)c3cc4ccccc4cc13)-c1ccc3c4ccc5c6c(ccc(c7ccc-2c1c73)c46)c1c(-c2ccccc2)c2cccc3c4ccccc4c(c23)c51.

What is the InChIKey of 7,18-bis(2-fluorophenyl)-41-phenyltetradecacyclo[25.18.2.22,5.129,36.03,23.04,20.06,19.08,17.010,15.024,46.028,42.030,35.043,47.040,48]pentaconta-1(45),2(50),3(23),4(20),5(49),6,8,10,12,14,16,18,21,24(46),25,27(47),28,30,32,34,36(48),37,39,41,43-pentacosaene?

The InChIKey is YIYRCUPQNUASKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H34F2/c69-54-23-10-8-19-45(54)60-52-33-36-15-4-5-16-37(36)34-53(52)61(46-20-9-11-24-55(46)70)67-50-31-27-43-44-28-32-51-62-48(29-25-41(57(44)62)42-26-30-49(66(60)67)63(50)58(42)43)65-56(35-13-2-1-3-14-35)47-22-12-21-39-38-17-6-7-18-40(38)64(59(39)47)68(51)65/h1-34H.

What are the key properties of 7,18-bis(2-fluorophenyl)-41-phenyltetradecacyclo[25.18.2.22,5.129,36.03,23.04,20.06,19.08,17.010,15.024,46.028,42.030,35.043,47.040,48]pentaconta-1(45),2(50),3(23),4(20),5(49),6,8,10,12,14,16,18,21,24(46),25,27(47),28,30,32,34,36(48),37,39,41,43-pentacosaene?

7,18-bis(2-fluorophenyl)-41-phenyltetradecacyclo[25.18.2.22,5.129,36.03,23.04,20.06,19.08,17.010,15.024,46.028,42.030,35.043,47.040,48]pentaconta-1(45),2(50),3(23),4(20),5(49),6,8,10,12,14,16,18,21,24(46),25,27(47),28,30,32,34,36(48),37,39,41,43-pentacosaene has a molecular weight of 889.02 g/mol, XLogP of 19.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 7,18-bis(2-fluorophenyl)-41-phenyltetradecacyclo[25.18.2.22,5.129,36.03,23.04,20.06,19.08,17.010,15.024,46.028,42.030,35.043,47.040,48]pentaconta-1(45),2(50),3(23),4(20),5(49),6,8,10,12,14,16,18,21,24(46),25,27(47),28,30,32,34,36(48),37,39,41,43-pentacosaene is sourced from PubChem (CID 146365264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).