N-[(Z)-[3-amino-2-methyl-3-(11-methyl-11,12-dihydrotriphenylen-2-yl)propylidene]amino]aniline

C29H29N3 — CID 146359887

IUPACN-[(Z)-[3-amino-2-methyl-3-(11-methyl-11,12-dihydrotriphenylen-2-yl)propylidene]amino]aniline
SMILESCC1C=Cc2c(c3cc(C(N)C(C)/C=N\Nc4ccccc4)ccc3c3ccccc23)C1
InChIInChI=1S/C29H29N3/c1-19-12-14-25-23-10-6-7-11-24(23)26-15-13-21(17-28(26)27(25)16-19)29(30)20(2)18-31-32-22-8-4-3-5-9-22/h3-15,17-20,29,32H,16,30H2,1-2H3/b31-18-
InChIKeyIJGPYEQYPKMIOO-MNBJERMJSA-N
MW419.57 g/mol
LogP6.93
Rot. Bonds5

About N-[(Z)-[3-amino-2-methyl-3-(11-methyl-11,12-dihydrotriphenylen-2-yl)propylidene]amino]aniline

N-[(Z)-[3-amino-2-methyl-3-(11-methyl-11,12-dihydrotriphenylen-2-yl)propylidene]amino]aniline (PubChem CID 146359887) has the molecular formula C29H29N3 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[(Z)-[3-amino-2-methyl-3-(11-methyl-11,12-dihydrotriphenylen-2-yl)propylidene]amino]aniline.

Molecular Properties

Compound NameN-[(Z)-[3-amino-2-methyl-3-(11-methyl-11,12-dihydrotriphenylen-2-yl)propylidene]amino]aniline
PubChem CID146359887
Molecular FormulaC29H29N3
Molecular Weight419.57 g/mol
Exact Mass419.24
IUPAC NameN-[(Z)-[3-amino-2-methyl-3-(11-methyl-11,12-dihydrotriphenylen-2-yl)propylidene]amino]aniline
SMILESCC1C=Cc2c(c3cc(C(N)C(C)/C=N\Nc4ccccc4)ccc3c3ccccc23)C1
InChIInChI=1S/C29H29N3/c1-19-12-14-25-23-10-6-7-11-24(23)26-15-13-21(17-28(26)27(25)16-19)29(30)20(2)18-31-32-22-8-4-3-5-9-22/h3-15,17-20,29,32H,16,30H2,1-2H3/b31-18-
InChIKeyIJGPYEQYPKMIOO-MNBJERMJSA-N
XLogP6.93
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 84902614
[(2S,3R,4S,5E)-3-acetyloxy-4-methyl-5-(phenylhydrazinylidene)pentan-2-yl] acetate
CID 118443387
3-chloro-4-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]aniline
CID 9069302
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N-[[2-(1,3-dioxan-2-yl)phenyl]methylideneamino]aniline
CID 169382596
3-nitro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]aniline
CID 9077539
N-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline
CID 75560608
1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene
CID 154542947
8-methyl-8,9-dihydrodibenzofuran-4-carbaldehyde
CID 163439736
N-[(3,5-difluorophenyl)methylideneamino]aniline
CID 169381503
9,10-dimethyl-2-propan-2-ylphenanthrene
CID 140734876

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-amino-2-methyl-3-(11-methyl-11,12-dihydrotriphenylen-2-yl)propylidene]amino]aniline?
The IUPAC name of N-[(Z)-[3-amino-2-methyl-3-(11-methyl-11,12-dihydrotriphenylen-2-yl)propylidene]amino]aniline (CID 146359887) is N-[(Z)-[3-amino-2-methyl-3-(11-methyl-11,12-dihydrotriphenylen-2-yl)propylidene]amino]aniline.
What is the SMILES notation for N-[(Z)-[3-amino-2-methyl-3-(11-methyl-11,12-dihydrotriphenylen-2-yl)propylidene]amino]aniline?
The canonical SMILES for N-[(Z)-[3-amino-2-methyl-3-(11-methyl-11,12-dihydrotriphenylen-2-yl)propylidene]amino]aniline is CC1C=Cc2c(c3cc(C(N)C(C)/C=N\Nc4ccccc4)ccc3c3ccccc23)C1.
What is the InChIKey of N-[(Z)-[3-amino-2-methyl-3-(11-methyl-11,12-dihydrotriphenylen-2-yl)propylidene]amino]aniline?
The InChIKey is IJGPYEQYPKMIOO-MNBJERMJSA-N. The full InChI is InChI=1S/C29H29N3/c1-19-12-14-25-23-10-6-7-11-24(23)26-15-13-21(17-28(26)27(25)16-19)29(30)20(2)18-31-32-22-8-4-3-5-9-22/h3-15,17-20,29,32H,16,30H2,1-2H3/b31-18-.
What are the key properties of N-[(Z)-[3-amino-2-methyl-3-(11-methyl-11,12-dihydrotriphenylen-2-yl)propylidene]amino]aniline?
N-[(Z)-[3-amino-2-methyl-3-(11-methyl-11,12-dihydrotriphenylen-2-yl)propylidene]amino]aniline has a molecular weight of 419.57 g/mol, XLogP of 6.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-amino-2-methyl-3-(11-methyl-11,12-dihydrotriphenylen-2-yl)propylidene]amino]aniline is sourced from PubChem (CID 146359887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).