2-chloro-9-(9H-fluoren-9-yl)-1-nitro-9H-fluorene

C26H16ClNO2 — CID 68750343

IUPAC2-chloro-9-(9H-fluoren-9-yl)-1-nitro-9H-fluorene
SMILESO=[N+]([O-])c1c(Cl)ccc2c1C(C1c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C26H16ClNO2/c27-22-14-13-21-17-9-3-6-12-20(17)24(25(21)26(22)28(29)30)23-18-10-4-1-7-15(18)16-8-2-5-11-19(16)23/h1-14,23-24H
InChIKeyTVHZXQKAPYXRED-UHFFFAOYSA-N
MW409.87 g/mol
LogP7.17
Rot. Bonds2

About 2-chloro-9-(9H-fluoren-9-yl)-1-nitro-9H-fluorene

2-chloro-9-(9H-fluoren-9-yl)-1-nitro-9H-fluorene (PubChem CID 68750343) has the molecular formula C26H16ClNO2 and a molecular weight of 409.87 g/mol. Its IUPAC name is 2-chloro-9-(9H-fluoren-9-yl)-1-nitro-9H-fluorene.

Molecular Properties

Compound Name2-chloro-9-(9H-fluoren-9-yl)-1-nitro-9H-fluorene
PubChem CID68750343
Molecular FormulaC26H16ClNO2
Molecular Weight409.87 g/mol
Exact Mass409.09
IUPAC Name2-chloro-9-(9H-fluoren-9-yl)-1-nitro-9H-fluorene
SMILESO=[N+]([O-])c1c(Cl)ccc2c1C(C1c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C26H16ClNO2/c27-22-14-13-21-17-9-3-6-12-20(17)24(25(21)26(22)28(29)30)23-18-10-4-1-7-15(18)16-8-2-5-11-19(16)23/h1-14,23-24H
InChIKeyTVHZXQKAPYXRED-UHFFFAOYSA-N
XLogP7.17
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.87
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-chloro-9-(9H-fluoren-9-yl)-1-nitro-9H-fluorene?
The IUPAC name of 2-chloro-9-(9H-fluoren-9-yl)-1-nitro-9H-fluorene (CID 68750343) is 2-chloro-9-(9H-fluoren-9-yl)-1-nitro-9H-fluorene.
What is the SMILES notation for 2-chloro-9-(9H-fluoren-9-yl)-1-nitro-9H-fluorene?
The canonical SMILES for 2-chloro-9-(9H-fluoren-9-yl)-1-nitro-9H-fluorene is O=[N+]([O-])c1c(Cl)ccc2c1C(C1c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of 2-chloro-9-(9H-fluoren-9-yl)-1-nitro-9H-fluorene?
The InChIKey is TVHZXQKAPYXRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16ClNO2/c27-22-14-13-21-17-9-3-6-12-20(17)24(25(21)26(22)28(29)30)23-18-10-4-1-7-15(18)16-8-2-5-11-19(16)23/h1-14,23-24H.
What are the key properties of 2-chloro-9-(9H-fluoren-9-yl)-1-nitro-9H-fluorene?
2-chloro-9-(9H-fluoren-9-yl)-1-nitro-9H-fluorene has a molecular weight of 409.87 g/mol, XLogP of 7.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-(9H-fluoren-9-yl)-1-nitro-9H-fluorene is sourced from PubChem (CID 68750343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).