18-fluoro-5-(4-methoxyphenyl)-5-(4-phenylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-21,1'-cyclopentane]

C43H33FO2 — CID 177090972

About 18-fluoro-5-(4-methoxyphenyl)-5-(4-phenylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-21,1'-cyclopentane]

18-fluoro-5-(4-methoxyphenyl)-5-(4-phenylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-21,1'-cyclopentane] (PubChem CID 177090972) has the molecular formula C43H33FO2 and a molecular weight of 600.73 g/mol. Its IUPAC name is 18-fluoro-5-(4-methoxyphenyl)-5-(4-phenylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-21,1'-cyclopentane].

Molecular Properties

• Compound Name: 18-fluoro-5-(4-methoxyphenyl)-5-(4-phenylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-21,1'-cyclopentane]
• PubChem CID: 177090972
• Molecular Formula: C43H33FO2
• Molecular Weight: 600.73 g/mol
• Exact Mass: 600.25
• IUPAC Name: 18-fluoro-5-(4-methoxyphenyl)-5-(4-phenylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-21,1'-cyclopentane]
• SMILES: COc1ccc(C2(c3ccc(-c4ccccc4)cc3)C=Cc3c4c(c5ccccc5c3O2)-c2ccc(F)cc2C42CCCC2)cc1
• InChI: InChI=1S/C43H33FO2/c1-45-33-20-17-31(18-21-33)43(30-15-13-29(14-16-30)28-9-3-2-4-10-28)26-23-37-40-39(34-11-5-6-12-35(34)41(37)46-43)36-22-19-32(44)27-38(36)42(40)24-7-8-25-42/h2-6,9-23,26-27H,7-8,24-25H2,1H3
• InChIKey: LHNGLLBRRVNKOL-UHFFFAOYSA-N
• XLogP: 10.84
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.73
LogP ≤ 5	10.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 18-fluoro-5-(4-methoxyphenyl)-5-(4-phenylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-21,1'-cyclopentane]?

The IUPAC name of 18-fluoro-5-(4-methoxyphenyl)-5-(4-phenylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-21,1'-cyclopentane] (CID 177090972) is 18-fluoro-5-(4-methoxyphenyl)-5-(4-phenylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-21,1'-cyclopentane].

What is the SMILES notation for 18-fluoro-5-(4-methoxyphenyl)-5-(4-phenylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-21,1'-cyclopentane]?

The canonical SMILES for 18-fluoro-5-(4-methoxyphenyl)-5-(4-phenylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-21,1'-cyclopentane] is COc1ccc(C2(c3ccc(-c4ccccc4)cc3)C=Cc3c4c(c5ccccc5c3O2)-c2ccc(F)cc2C42CCCC2)cc1.

What is the InChIKey of 18-fluoro-5-(4-methoxyphenyl)-5-(4-phenylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-21,1'-cyclopentane]?

The InChIKey is LHNGLLBRRVNKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33FO2/c1-45-33-20-17-31(18-21-33)43(30-15-13-29(14-16-30)28-9-3-2-4-10-28)26-23-37-40-39(34-11-5-6-12-35(34)41(37)46-43)36-22-19-32(44)27-38(36)42(40)24-7-8-25-42/h2-6,9-23,26-27H,7-8,24-25H2,1H3.

What are the key properties of 18-fluoro-5-(4-methoxyphenyl)-5-(4-phenylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-21,1'-cyclopentane]?

18-fluoro-5-(4-methoxyphenyl)-5-(4-phenylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-21,1'-cyclopentane] has a molecular weight of 600.73 g/mol, XLogP of 10.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 18-fluoro-5-(4-methoxyphenyl)-5-(4-phenylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-21,1'-cyclopentane] is sourced from PubChem (CID 177090972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).