2-[(4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H20FNO4 — CID 2960039

IUPAC2-[(4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2cccc(Oc3ccccc3)c2)N1Cc1ccc(F)cc1
InChIInChI=1S/C30H20FNO4/c31-21-15-13-19(14-16-21)18-32-27(20-7-6-10-23(17-20)35-22-8-2-1-3-9-22)26-28(33)24-11-4-5-12-25(24)36-29(26)30(32)34/h1-17,27H,18H2
InChIKeyNZWNQGLBKJCIKH-UHFFFAOYSA-N
MW477.49 g/mol
LogP6.47
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[(4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2960039) has the molecular formula C30H20FNO4 and a molecular weight of 477.49 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2960039
Molecular FormulaC30H20FNO4
Molecular Weight477.49 g/mol
Exact Mass477.14
IUPAC Name2-[(4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2cccc(Oc3ccccc3)c2)N1Cc1ccc(F)cc1
InChIInChI=1S/C30H20FNO4/c31-21-15-13-19(14-16-21)18-32-27(20-7-6-10-23(17-20)35-22-8-2-1-3-9-22)26-28(33)24-11-4-5-12-25(24)36-29(26)30(32)34/h1-17,27H,18H2
InChIKeyNZWNQGLBKJCIKH-UHFFFAOYSA-N
XLogP6.47
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.49
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2960039) is 2-[(4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2cccc(Oc3ccccc3)c2)N1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NZWNQGLBKJCIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20FNO4/c31-21-15-13-19(14-16-21)18-32-27(20-7-6-10-23(17-20)35-22-8-2-1-3-9-22)26-28(33)24-11-4-5-12-25(24)36-29(26)30(32)34/h1-17,27H,18H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[(4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 477.49 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2960039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).