4-[(E)-2-(9,9-dimethyl-7-nitrofluoren-2-yl)ethenyl]-N,N-dimethylaniline

C25H24N2O2 — CID 46918435

IUPAC4-[(E)-2-(9,9-dimethyl-7-nitrofluoren-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccc3c(c2)C(C)(C)c2cc([N+](=O)[O-])ccc2-3)cc1
InChIInChI=1S/C25H24N2O2/c1-25(2)23-15-18(6-5-17-7-10-19(11-8-17)26(3)4)9-13-21(23)22-14-12-20(27(28)29)16-24(22)25/h5-16H,1-4H3/b6-5+
InChIKeyCZDPWFDRBUWJPX-AATRIKPKSA-N
MW384.48 g/mol
LogP6.14
Rot. Bonds4

About 4-[(E)-2-(9,9-dimethyl-7-nitrofluoren-2-yl)ethenyl]-N,N-dimethylaniline

4-[(E)-2-(9,9-dimethyl-7-nitrofluoren-2-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 46918435) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[(E)-2-(9,9-dimethyl-7-nitrofluoren-2-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(9,9-dimethyl-7-nitrofluoren-2-yl)ethenyl]-N,N-dimethylaniline
PubChem CID46918435
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name4-[(E)-2-(9,9-dimethyl-7-nitrofluoren-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccc3c(c2)C(C)(C)c2cc([N+](=O)[O-])ccc2-3)cc1
InChIInChI=1S/C25H24N2O2/c1-25(2)23-15-18(6-5-17-7-10-19(11-8-17)26(3)4)9-13-21(23)22-14-12-20(27(28)29)16-24(22)25/h5-16H,1-4H3/b6-5+
InChIKeyCZDPWFDRBUWJPX-AATRIKPKSA-N
XLogP6.14
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(9,9-dimethyl-7-nitrofluoren-2-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(9,9-dimethyl-7-nitrofluoren-2-yl)ethenyl]-N,N-dimethylaniline (CID 46918435) is 4-[(E)-2-(9,9-dimethyl-7-nitrofluoren-2-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(9,9-dimethyl-7-nitrofluoren-2-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(9,9-dimethyl-7-nitrofluoren-2-yl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/c2ccc3c(c2)C(C)(C)c2cc([N+](=O)[O-])ccc2-3)cc1.
What is the InChIKey of 4-[(E)-2-(9,9-dimethyl-7-nitrofluoren-2-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is CZDPWFDRBUWJPX-AATRIKPKSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-25(2)23-15-18(6-5-17-7-10-19(11-8-17)26(3)4)9-13-21(23)22-14-12-20(27(28)29)16-24(22)25/h5-16H,1-4H3/b6-5+.
What are the key properties of 4-[(E)-2-(9,9-dimethyl-7-nitrofluoren-2-yl)ethenyl]-N,N-dimethylaniline?
4-[(E)-2-(9,9-dimethyl-7-nitrofluoren-2-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 384.48 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(9,9-dimethyl-7-nitrofluoren-2-yl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 46918435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).