N-[[2-(9H-fluoren-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline

C33H34N2 — CID 87557447

IUPACN-[[2-(9H-fluoren-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NN=C(Cc1cccc2c1Cc1ccccc1-2)c1ccccc1
InChIInChI=1S/C33H34N2/c1-22(2)27-17-11-18-28(23(3)4)33(27)35-34-32(24-12-6-5-7-13-24)21-26-15-10-19-30-29-16-9-8-14-25(29)20-31(26)30/h5-19,22-23,35H,20-21H2,1-4H3
InChIKeyMSSMEDPTTNILFX-UHFFFAOYSA-N
MW458.65 g/mol
LogP8.56
Rot. Bonds7

About N-[[2-(9H-fluoren-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline

N-[[2-(9H-fluoren-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline (PubChem CID 87557447) has the molecular formula C33H34N2 and a molecular weight of 458.65 g/mol. Its IUPAC name is N-[[2-(9H-fluoren-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[[2-(9H-fluoren-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline
PubChem CID87557447
Molecular FormulaC33H34N2
Molecular Weight458.65 g/mol
Exact Mass458.27
IUPAC NameN-[[2-(9H-fluoren-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NN=C(Cc1cccc2c1Cc1ccccc1-2)c1ccccc1
InChIInChI=1S/C33H34N2/c1-22(2)27-17-11-18-28(23(3)4)33(27)35-34-32(24-12-6-5-7-13-24)21-26-15-10-19-30-29-16-9-8-14-25(29)20-31(26)30/h5-19,22-23,35H,20-21H2,1-4H3
InChIKeyMSSMEDPTTNILFX-UHFFFAOYSA-N
XLogP8.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 58.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

1-(9h-Fluoren-9-ylidene)-2-phenylhydrazine
CID 222581
N-(fluoren-9-ylideneamino)-3-methylaniline
CID 4057628
N-(fluoren-9-ylideneamino)-4-methylaniline;hydrochloride
CID 15945047
1,2-Di(2,6-diisopropylphenylimino)acenaphthene
CID 1818681
1,2-Bis[(2,6-dimethylphenyl)imino]acenaphthene
CID 3538776
N,N'-Bis(2,6-diethylphenyl)acenaphthylene-1,2-diimine
CID 11378297
N-[(E)-[(2E)-2-(phenylhydrazinylidene)acenaphthylen-1-ylidene]amino]aniline
CID 12213106
((2,6-Diisopropylphenyl)imino)-((2-isopropyl-6-methyl-phenyl)imino)-acenaphthene
CID 129826487
N-(9-fluorenylideneamino)-4-methylaniline
CID 4130822
N-[(E)-[(2R)-2,3-dipropyl-2,3-dihydroinden-1-ylidene]amino]-4-fluoroaniline
CID 172242118
Phenyl({3-[(phenylamino)azamethylene](2-hydrocyclopenta[3,2-a]benzenylidene)}a zamethyl)amine
CID 7821090
1,2-Bis(6-cyclododecyl-2-methylphenylimino)-acenaphthene
CID 12159857

Frequently Asked Questions

What is the IUPAC name of N-[[2-(9H-fluoren-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[[2-(9H-fluoren-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline (CID 87557447) is N-[[2-(9H-fluoren-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[[2-(9H-fluoren-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[[2-(9H-fluoren-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1NN=C(Cc1cccc2c1Cc1ccccc1-2)c1ccccc1.
What is the InChIKey of N-[[2-(9H-fluoren-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline?
The InChIKey is MSSMEDPTTNILFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2/c1-22(2)27-17-11-18-28(23(3)4)33(27)35-34-32(24-12-6-5-7-13-24)21-26-15-10-19-30-29-16-9-8-14-25(29)20-31(26)30/h5-19,22-23,35H,20-21H2,1-4H3.
What are the key properties of N-[[2-(9H-fluoren-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline?
N-[[2-(9H-fluoren-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline has a molecular weight of 458.65 g/mol, XLogP of 8.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(9H-fluoren-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 87557447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).