5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene

C38H23F — CID 58160942

About 5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene

5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene (PubChem CID 58160942) has the molecular formula C38H23F and a molecular weight of 498.60 g/mol. Its IUPAC name is 5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene.

Molecular Properties

• Compound Name: 5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
• PubChem CID: 58160942
• Molecular Formula: C38H23F
• Molecular Weight: 498.60 g/mol
• Exact Mass: 498.18
• IUPAC Name: 5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
• SMILES: Fc1ccc2c(c1)-c1cccc3c(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccccc4c-2c13
• InChI: InChI=1S/C38H23F/c39-29-21-22-33-35(23-29)32-11-6-12-34-36(30-9-4-5-10-31(30)37(33)38(32)34)28-19-17-27(18-20-28)26-15-13-25(14-16-26)24-7-2-1-3-8-24/h1-23H
• InChIKey: JRTSUSOSILBWMY-UHFFFAOYSA-N
• XLogP: 10.78
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.60
LogP ≤ 5	10.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene?

The IUPAC name of 5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene (CID 58160942) is 5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene.

What is the SMILES notation for 5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene?

The canonical SMILES for 5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene is Fc1ccc2c(c1)-c1cccc3c(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccccc4c-2c13.

What is the InChIKey of 5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene?

The InChIKey is JRTSUSOSILBWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23F/c39-29-21-22-33-35(23-29)32-11-6-12-34-36(30-9-4-5-10-31(30)37(33)38(32)34)28-19-17-27(18-20-28)26-15-13-25(14-16-26)24-7-2-1-3-8-24/h1-23H.

What are the key properties of 5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene?

5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene has a molecular weight of 498.60 g/mol, XLogP of 10.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene is sourced from PubChem (CID 58160942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).