6,8-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-2-phenylfuro[3,2-c]quinoline

C36H23F2NO2 — CID 139232880

IUPAC6,8-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-2-phenylfuro[3,2-c]quinoline
SMILESCOc1ccc(-c2nc3c(-c4ccc(F)cc4)cc(-c4ccc(F)cc4)cc3c3oc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C36H23F2NO2/c1-40-29-17-11-25(12-18-29)34-32-21-33(24-5-3-2-4-6-24)41-36(32)31-20-26(22-7-13-27(37)14-8-22)19-30(35(31)39-34)23-9-15-28(38)16-10-23/h2-21H,1H3
InChIKeyCIXJZJLGACRTBD-UHFFFAOYSA-N
MW539.58 g/mol
LogP9.94
Rot. Bonds5

About 6,8-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-2-phenylfuro[3,2-c]quinoline

6,8-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-2-phenylfuro[3,2-c]quinoline (PubChem CID 139232880) has the molecular formula C36H23F2NO2 and a molecular weight of 539.58 g/mol. Its IUPAC name is 6,8-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-2-phenylfuro[3,2-c]quinoline.

Molecular Properties

Compound Name6,8-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-2-phenylfuro[3,2-c]quinoline
PubChem CID139232880
Molecular FormulaC36H23F2NO2
Molecular Weight539.58 g/mol
Exact Mass539.17
IUPAC Name6,8-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-2-phenylfuro[3,2-c]quinoline
SMILESCOc1ccc(-c2nc3c(-c4ccc(F)cc4)cc(-c4ccc(F)cc4)cc3c3oc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C36H23F2NO2/c1-40-29-17-11-25(12-18-29)34-32-21-33(24-5-3-2-4-6-24)41-36(32)31-20-26(22-7-13-27(37)14-8-22)19-30(35(31)39-34)23-9-15-28(38)16-10-23/h2-21H,1H3
InChIKeyCIXJZJLGACRTBD-UHFFFAOYSA-N
XLogP9.94
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.58
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-2-phenylfuro[3,2-c]quinoline?
The IUPAC name of 6,8-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-2-phenylfuro[3,2-c]quinoline (CID 139232880) is 6,8-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-2-phenylfuro[3,2-c]quinoline.
What is the SMILES notation for 6,8-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-2-phenylfuro[3,2-c]quinoline?
The canonical SMILES for 6,8-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-2-phenylfuro[3,2-c]quinoline is COc1ccc(-c2nc3c(-c4ccc(F)cc4)cc(-c4ccc(F)cc4)cc3c3oc(-c4ccccc4)cc23)cc1.
What is the InChIKey of 6,8-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-2-phenylfuro[3,2-c]quinoline?
The InChIKey is CIXJZJLGACRTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23F2NO2/c1-40-29-17-11-25(12-18-29)34-32-21-33(24-5-3-2-4-6-24)41-36(32)31-20-26(22-7-13-27(37)14-8-22)19-30(35(31)39-34)23-9-15-28(38)16-10-23/h2-21H,1H3.
What are the key properties of 6,8-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-2-phenylfuro[3,2-c]quinoline?
6,8-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-2-phenylfuro[3,2-c]quinoline has a molecular weight of 539.58 g/mol, XLogP of 9.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-2-phenylfuro[3,2-c]quinoline is sourced from PubChem (CID 139232880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).