5-fluoro-2-[4-[9-[4-(5-fluoro-1,3-dioxoisoindol-2-yl)phenyl]fluoren-9-yl]phenyl]isoindole-1,3-dione

C41H22F2N2O4 — CID 15300702

IUPAC5-fluoro-2-[4-[9-[4-(5-fluoro-1,3-dioxoisoindol-2-yl)phenyl]fluoren-9-yl]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccc(F)cc2C(=O)N1c1ccc(C2(c3ccc(N4C(=O)c5ccc(F)cc5C4=O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C41H22F2N2O4/c42-25-13-19-31-33(21-25)39(48)44(37(31)46)27-15-9-23(10-16-27)41(35-7-3-1-5-29(35)30-6-2-4-8-36(30)41)24-11-17-28(18-12-24)45-38(47)32-20-14-26(43)22-34(32)40(45)49/h1-22H
InChIKeyJVOAGBSFNXKXAM-UHFFFAOYSA-N
MW644.63 g/mol
LogP7.93
Rot. Bonds4

About 5-fluoro-2-[4-[9-[4-(5-fluoro-1,3-dioxoisoindol-2-yl)phenyl]fluoren-9-yl]phenyl]isoindole-1,3-dione

5-fluoro-2-[4-[9-[4-(5-fluoro-1,3-dioxoisoindol-2-yl)phenyl]fluoren-9-yl]phenyl]isoindole-1,3-dione (PubChem CID 15300702) has the molecular formula C41H22F2N2O4 and a molecular weight of 644.63 g/mol. Its IUPAC name is 5-fluoro-2-[4-[9-[4-(5-fluoro-1,3-dioxoisoindol-2-yl)phenyl]fluoren-9-yl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-fluoro-2-[4-[9-[4-(5-fluoro-1,3-dioxoisoindol-2-yl)phenyl]fluoren-9-yl]phenyl]isoindole-1,3-dione
PubChem CID15300702
Molecular FormulaC41H22F2N2O4
Molecular Weight644.63 g/mol
Exact Mass644.15
IUPAC Name5-fluoro-2-[4-[9-[4-(5-fluoro-1,3-dioxoisoindol-2-yl)phenyl]fluoren-9-yl]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccc(F)cc2C(=O)N1c1ccc(C2(c3ccc(N4C(=O)c5ccc(F)cc5C4=O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C41H22F2N2O4/c42-25-13-19-31-33(21-25)39(48)44(37(31)46)27-15-9-23(10-16-27)41(35-7-3-1-5-29(35)30-6-2-4-8-36(30)41)24-11-17-28(18-12-24)45-38(47)32-20-14-26(43)22-34(32)40(45)49/h1-22H
InChIKeyJVOAGBSFNXKXAM-UHFFFAOYSA-N
XLogP7.93
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.63
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-[9-[4-(5-fluoro-1,3-dioxoisoindol-2-yl)phenyl]fluoren-9-yl]phenyl]isoindole-1,3-dione?
The IUPAC name of 5-fluoro-2-[4-[9-[4-(5-fluoro-1,3-dioxoisoindol-2-yl)phenyl]fluoren-9-yl]phenyl]isoindole-1,3-dione (CID 15300702) is 5-fluoro-2-[4-[9-[4-(5-fluoro-1,3-dioxoisoindol-2-yl)phenyl]fluoren-9-yl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 5-fluoro-2-[4-[9-[4-(5-fluoro-1,3-dioxoisoindol-2-yl)phenyl]fluoren-9-yl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 5-fluoro-2-[4-[9-[4-(5-fluoro-1,3-dioxoisoindol-2-yl)phenyl]fluoren-9-yl]phenyl]isoindole-1,3-dione is O=C1c2ccc(F)cc2C(=O)N1c1ccc(C2(c3ccc(N4C(=O)c5ccc(F)cc5C4=O)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 5-fluoro-2-[4-[9-[4-(5-fluoro-1,3-dioxoisoindol-2-yl)phenyl]fluoren-9-yl]phenyl]isoindole-1,3-dione?
The InChIKey is JVOAGBSFNXKXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H22F2N2O4/c42-25-13-19-31-33(21-25)39(48)44(37(31)46)27-15-9-23(10-16-27)41(35-7-3-1-5-29(35)30-6-2-4-8-36(30)41)24-11-17-28(18-12-24)45-38(47)32-20-14-26(43)22-34(32)40(45)49/h1-22H.
What are the key properties of 5-fluoro-2-[4-[9-[4-(5-fluoro-1,3-dioxoisoindol-2-yl)phenyl]fluoren-9-yl]phenyl]isoindole-1,3-dione?
5-fluoro-2-[4-[9-[4-(5-fluoro-1,3-dioxoisoindol-2-yl)phenyl]fluoren-9-yl]phenyl]isoindole-1,3-dione has a molecular weight of 644.63 g/mol, XLogP of 7.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-[9-[4-(5-fluoro-1,3-dioxoisoindol-2-yl)phenyl]fluoren-9-yl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 15300702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).