9,9-dimethylfluoren-2-amine;hydrazine;2-(1-inden-5-ylethyl)-9,9-dimethylfluorene

C41H41N3 — CID 144876651

IUPAC9,9-dimethylfluoren-2-amine;hydrazine;2-(1-inden-5-ylethyl)-9,9-dimethylfluorene
SMILESCC(c1ccc2c(c1)C=C=C2)c1ccc2c(c1)C(C)(C)c1ccccc1-2.CC1(C)c2ccccc2-c2ccc(N)cc21.NN
InChIInChI=1S/C26H22.C15H15N.H4N2/c1-17(19-12-11-18-7-6-8-21(18)15-19)20-13-14-23-22-9-4-5-10-24(22)26(2,3)25(23)16-20;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15;1-2/h4-5,7-17H,1-3H3;3-9H,16H2,1-2H3;1-2H2
InChIKeyJTUGTLUVTMNNEH-UHFFFAOYSA-N
MW575.80 g/mol
LogP9.18
Rot. Bonds2

About 9,9-dimethylfluoren-2-amine;hydrazine;2-(1-inden-5-ylethyl)-9,9-dimethylfluorene

9,9-dimethylfluoren-2-amine;hydrazine;2-(1-inden-5-ylethyl)-9,9-dimethylfluorene (PubChem CID 144876651) has the molecular formula C41H41N3 and a molecular weight of 575.80 g/mol. Its IUPAC name is 9,9-dimethylfluoren-2-amine;hydrazine;2-(1-inden-5-ylethyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name9,9-dimethylfluoren-2-amine;hydrazine;2-(1-inden-5-ylethyl)-9,9-dimethylfluorene
PubChem CID144876651
Molecular FormulaC41H41N3
Molecular Weight575.80 g/mol
Exact Mass575.33
IUPAC Name9,9-dimethylfluoren-2-amine;hydrazine;2-(1-inden-5-ylethyl)-9,9-dimethylfluorene
SMILESCC(c1ccc2c(c1)C=C=C2)c1ccc2c(c1)C(C)(C)c1ccccc1-2.CC1(C)c2ccccc2-c2ccc(N)cc21.NN
InChIInChI=1S/C26H22.C15H15N.H4N2/c1-17(19-12-11-18-7-6-8-21(18)15-19)20-13-14-23-22-9-4-5-10-24(22)26(2,3)25(23)16-20;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15;1-2/h4-5,7-17H,1-3H3;3-9H,16H2,1-2H3;1-2H2
InChIKeyJTUGTLUVTMNNEH-UHFFFAOYSA-N
XLogP9.18
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.80
LogP ≤ 59.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9,9-dimethylfluoren-2-amine;hydrazine;2-(1-inden-5-ylethyl)-9,9-dimethylfluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylfluoren-2-amine;hydrazine;2-(1-inden-5-ylethyl)-9,9-dimethylfluorene?
The IUPAC name of 9,9-dimethylfluoren-2-amine;hydrazine;2-(1-inden-5-ylethyl)-9,9-dimethylfluorene (CID 144876651) is 9,9-dimethylfluoren-2-amine;hydrazine;2-(1-inden-5-ylethyl)-9,9-dimethylfluorene.
What is the SMILES notation for 9,9-dimethylfluoren-2-amine;hydrazine;2-(1-inden-5-ylethyl)-9,9-dimethylfluorene?
The canonical SMILES for 9,9-dimethylfluoren-2-amine;hydrazine;2-(1-inden-5-ylethyl)-9,9-dimethylfluorene is CC(c1ccc2c(c1)C=C=C2)c1ccc2c(c1)C(C)(C)c1ccccc1-2.CC1(C)c2ccccc2-c2ccc(N)cc21.NN.
What is the InChIKey of 9,9-dimethylfluoren-2-amine;hydrazine;2-(1-inden-5-ylethyl)-9,9-dimethylfluorene?
The InChIKey is JTUGTLUVTMNNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22.C15H15N.H4N2/c1-17(19-12-11-18-7-6-8-21(18)15-19)20-13-14-23-22-9-4-5-10-24(22)26(2,3)25(23)16-20;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15;1-2/h4-5,7-17H,1-3H3;3-9H,16H2,1-2H3;1-2H2.
What are the key properties of 9,9-dimethylfluoren-2-amine;hydrazine;2-(1-inden-5-ylethyl)-9,9-dimethylfluorene?
9,9-dimethylfluoren-2-amine;hydrazine;2-(1-inden-5-ylethyl)-9,9-dimethylfluorene has a molecular weight of 575.80 g/mol, XLogP of 9.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylfluoren-2-amine;hydrazine;2-(1-inden-5-ylethyl)-9,9-dimethylfluorene is sourced from PubChem (CID 144876651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).