N-[[1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethylidene]amino]aniline

C23H26N2 — CID 87493998

IUPACN-[[1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethylidene]amino]aniline
SMILESCC1=C(C)C(C)C(CC(=NNc2ccccc2)c2ccccc2)=C1C
InChIInChI=1S/C23H26N2/c1-16-17(2)19(4)22(18(16)3)15-23(20-11-7-5-8-12-20)25-24-21-13-9-6-10-14-21/h5-14,18,24H,15H2,1-4H3
InChIKeyOKPNQHGJLMMHHR-UHFFFAOYSA-N
MW330.48 g/mol
LogP6.20
Rot. Bonds5

About N-[[1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethylidene]amino]aniline

N-[[1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethylidene]amino]aniline (PubChem CID 87493998) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[[1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethylidene]amino]aniline.

Molecular Properties

Compound NameN-[[1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethylidene]amino]aniline
PubChem CID87493998
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC NameN-[[1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethylidene]amino]aniline
SMILESCC1=C(C)C(C)C(CC(=NNc2ccccc2)c2ccccc2)=C1C
InChIInChI=1S/C23H26N2/c1-16-17(2)19(4)22(18(16)3)15-23(20-11-7-5-8-12-20)25-24-21-13-9-6-10-14-21/h5-14,18,24H,15H2,1-4H3
InChIKeyOKPNQHGJLMMHHR-UHFFFAOYSA-N
XLogP6.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 56.20
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

N-[(E)-1,2-diphenylethylideneamino]-4-methylaniline
CID 135051683
N-[(2-amino-1-phenylethylidene)amino]aniline
CID 88823119
N-[(E)-[2-phenyl-1-(4-phenylphenyl)ethylidene]amino]aniline
CID 6369710
N-[(Z)-3-methylbutan-2-ylideneamino]aniline
CID 5484372
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108
N-[[(4-methylphenyl)-phenylmethylidene]amino]aniline
CID 78146288
2-[(4-methoxyphenyl)hydrazinylidene]-2-phenylethanol
CID 88811907
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
CID 154709621
CID 154709621
zinc;(E)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane;(Z)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane
CID 134109584
(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide
CID 14933594
3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline
CID 9077469

Frequently Asked Questions

What is the IUPAC name of N-[[1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethylidene]amino]aniline?
The IUPAC name of N-[[1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethylidene]amino]aniline (CID 87493998) is N-[[1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethylidene]amino]aniline.
What is the SMILES notation for N-[[1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethylidene]amino]aniline?
The canonical SMILES for N-[[1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethylidene]amino]aniline is CC1=C(C)C(C)C(CC(=NNc2ccccc2)c2ccccc2)=C1C.
What is the InChIKey of N-[[1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethylidene]amino]aniline?
The InChIKey is OKPNQHGJLMMHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-16-17(2)19(4)22(18(16)3)15-23(20-11-7-5-8-12-20)25-24-21-13-9-6-10-14-21/h5-14,18,24H,15H2,1-4H3.
What are the key properties of N-[[1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethylidene]amino]aniline?
N-[[1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethylidene]amino]aniline has a molecular weight of 330.48 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethylidene]amino]aniline is sourced from PubChem (CID 87493998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).