N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]-4-methylaniline

C30H27FN4 — CID 134164405

IUPACN-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]-4-methylaniline
SMILESCc1ccc(N/N=C/c2ccc3c(c2)C(C)(C)c2cc(/C=N/Nc4ccc(F)cc4)ccc2-3)cc1
InChIInChI=1S/C30H27FN4/c1-20-4-10-24(11-5-20)34-32-18-21-6-14-26-27-15-7-22(17-29(27)30(2,3)28(26)16-21)19-33-35-25-12-8-23(31)9-13-25/h4-19,34-35H,1-3H3/b32-18+,33-19+
InChIKeyMXWWMPWLZJVOLF-XYHIKERESA-N
MW462.57 g/mol
LogP7.33
Rot. Bonds6

About N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]-4-methylaniline

N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]-4-methylaniline (PubChem CID 134164405) has the molecular formula C30H27FN4 and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]-4-methylaniline.

Molecular Properties

Compound NameN-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]-4-methylaniline
PubChem CID134164405
Molecular FormulaC30H27FN4
Molecular Weight462.57 g/mol
Exact Mass462.22
IUPAC NameN-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]-4-methylaniline
SMILESCc1ccc(N/N=C/c2ccc3c(c2)C(C)(C)c2cc(/C=N/Nc4ccc(F)cc4)ccc2-3)cc1
InChIInChI=1S/C30H27FN4/c1-20-4-10-24(11-5-20)34-32-18-21-6-14-26-27-15-7-22(17-29(27)30(2,3)28(26)16-21)19-33-35-25-12-8-23(31)9-13-25/h4-19,34-35H,1-3H3/b32-18+,33-19+
InChIKeyMXWWMPWLZJVOLF-XYHIKERESA-N
XLogP7.33
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]-4-methylaniline?
The IUPAC name of N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]-4-methylaniline (CID 134164405) is N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]-4-methylaniline.
What is the SMILES notation for N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]-4-methylaniline?
The canonical SMILES for N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]-4-methylaniline is Cc1ccc(N/N=C/c2ccc3c(c2)C(C)(C)c2cc(/C=N/Nc4ccc(F)cc4)ccc2-3)cc1.
What is the InChIKey of N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]-4-methylaniline?
The InChIKey is MXWWMPWLZJVOLF-XYHIKERESA-N. The full InChI is InChI=1S/C30H27FN4/c1-20-4-10-24(11-5-20)34-32-18-21-6-14-26-27-15-7-22(17-29(27)30(2,3)28(26)16-21)19-33-35-25-12-8-23(31)9-13-25/h4-19,34-35H,1-3H3/b32-18+,33-19+.
What are the key properties of N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]-4-methylaniline?
N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]-4-methylaniline has a molecular weight of 462.57 g/mol, XLogP of 7.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]-4-methylaniline is sourced from PubChem (CID 134164405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).