9,9-bis[4-(4-nitrophenoxy)phenyl]fluorene

C37H24N2O6 — CID 617334

IUPAC9,9-bis[4-(4-nitrophenoxy)phenyl]fluorene
SMILESO=[N+]([O-])c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C37H24N2O6/c40-38(41)27-13-21-31(22-14-27)44-29-17-9-25(10-18-29)37(35-7-3-1-5-33(35)34-6-2-4-8-36(34)37)26-11-19-30(20-12-26)45-32-23-15-28(16-24-32)39(42)43/h1-24H
InChIKeyFGQAUBYZWGQYDS-UHFFFAOYSA-N
MW592.61 g/mol
LogP9.45
Rot. Bonds8

About 9,9-bis[4-(4-nitrophenoxy)phenyl]fluorene

9,9-bis[4-(4-nitrophenoxy)phenyl]fluorene (PubChem CID 617334) has the molecular formula C37H24N2O6 and a molecular weight of 592.61 g/mol. Its IUPAC name is 9,9-bis[4-(4-nitrophenoxy)phenyl]fluorene.

Molecular Properties

Compound Name9,9-bis[4-(4-nitrophenoxy)phenyl]fluorene
PubChem CID617334
Molecular FormulaC37H24N2O6
Molecular Weight592.61 g/mol
Exact Mass592.16
IUPAC Name9,9-bis[4-(4-nitrophenoxy)phenyl]fluorene
SMILESO=[N+]([O-])c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C37H24N2O6/c40-38(41)27-13-21-31(22-14-27)44-29-17-9-25(10-18-29)37(35-7-3-1-5-33(35)34-6-2-4-8-36(34)37)26-11-19-30(20-12-26)45-32-23-15-28(16-24-32)39(42)43/h1-24H
InChIKeyFGQAUBYZWGQYDS-UHFFFAOYSA-N
XLogP9.45
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.61
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9-bis[4-(4-nitrophenoxy)phenyl]fluorene?
The IUPAC name of 9,9-bis[4-(4-nitrophenoxy)phenyl]fluorene (CID 617334) is 9,9-bis[4-(4-nitrophenoxy)phenyl]fluorene.
What is the SMILES notation for 9,9-bis[4-(4-nitrophenoxy)phenyl]fluorene?
The canonical SMILES for 9,9-bis[4-(4-nitrophenoxy)phenyl]fluorene is O=[N+]([O-])c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 9,9-bis[4-(4-nitrophenoxy)phenyl]fluorene?
The InChIKey is FGQAUBYZWGQYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O6/c40-38(41)27-13-21-31(22-14-27)44-29-17-9-25(10-18-29)37(35-7-3-1-5-33(35)34-6-2-4-8-36(34)37)26-11-19-30(20-12-26)45-32-23-15-28(16-24-32)39(42)43/h1-24H.
What are the key properties of 9,9-bis[4-(4-nitrophenoxy)phenyl]fluorene?
9,9-bis[4-(4-nitrophenoxy)phenyl]fluorene has a molecular weight of 592.61 g/mol, XLogP of 9.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[4-(4-nitrophenoxy)phenyl]fluorene is sourced from PubChem (CID 617334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).