3-chloro-N-[(1,2-diphenylindol-3-yl)methylideneamino]aniline

C27H20ClN3 — CID 4190945

IUPAC3-chloro-N-[(1,2-diphenylindol-3-yl)methylideneamino]aniline
SMILESClc1cccc(NN=Cc2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C27H20ClN3/c28-21-12-9-13-22(18-21)30-29-19-25-24-16-7-8-17-26(24)31(23-14-5-2-6-15-23)27(25)20-10-3-1-4-11-20/h1-19,30H
InChIKeyFDKHSCSSOSOIKZ-UHFFFAOYSA-N
MW421.93 g/mol
LogP7.40
Rot. Bonds5

About 3-chloro-N-[(1,2-diphenylindol-3-yl)methylideneamino]aniline

3-chloro-N-[(1,2-diphenylindol-3-yl)methylideneamino]aniline (PubChem CID 4190945) has the molecular formula C27H20ClN3 and a molecular weight of 421.93 g/mol. Its IUPAC name is 3-chloro-N-[(1,2-diphenylindol-3-yl)methylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-N-[(1,2-diphenylindol-3-yl)methylideneamino]aniline
PubChem CID4190945
Molecular FormulaC27H20ClN3
Molecular Weight421.93 g/mol
Exact Mass421.13
IUPAC Name3-chloro-N-[(1,2-diphenylindol-3-yl)methylideneamino]aniline
SMILESClc1cccc(NN=Cc2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C27H20ClN3/c28-21-12-9-13-22(18-21)30-29-19-25-24-16-7-8-17-26(24)31(23-14-5-2-6-15-23)27(25)20-10-3-1-4-11-20/h1-19,30H
InChIKeyFDKHSCSSOSOIKZ-UHFFFAOYSA-N
XLogP7.40
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.93
LogP ≤ 57.40
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide
CID 3485439
3-chloro-4-methyl-N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]aniline
CID 6108853
4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol
CID 87343577
N-[(1,2-diphenylindol-3-yl)methylideneamino]-N-methylmethanamine
CID 2319936
N-(2,4-dimethylphenyl)-1-(1,2-diphenylindol-3-yl)methanimine
CID 2307285
N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 146021708
N-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2308479
N-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]aniline
CID 96877901
N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6902143
4-[2-(3-chlorophenyl)phenyl]-9-phenylcarbazole
CID 176719063
7-chloro-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]quinolin-4-amine
CID 5027998
(Z)-1-(1,2-diphenylindol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine
CID 7025608

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1,2-diphenylindol-3-yl)methylideneamino]aniline?
The IUPAC name of 3-chloro-N-[(1,2-diphenylindol-3-yl)methylideneamino]aniline (CID 4190945) is 3-chloro-N-[(1,2-diphenylindol-3-yl)methylideneamino]aniline.
What is the SMILES notation for 3-chloro-N-[(1,2-diphenylindol-3-yl)methylideneamino]aniline?
The canonical SMILES for 3-chloro-N-[(1,2-diphenylindol-3-yl)methylideneamino]aniline is Clc1cccc(NN=Cc2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)c1.
What is the InChIKey of 3-chloro-N-[(1,2-diphenylindol-3-yl)methylideneamino]aniline?
The InChIKey is FDKHSCSSOSOIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3/c28-21-12-9-13-22(18-21)30-29-19-25-24-16-7-8-17-26(24)31(23-14-5-2-6-15-23)27(25)20-10-3-1-4-11-20/h1-19,30H.
What are the key properties of 3-chloro-N-[(1,2-diphenylindol-3-yl)methylideneamino]aniline?
3-chloro-N-[(1,2-diphenylindol-3-yl)methylideneamino]aniline has a molecular weight of 421.93 g/mol, XLogP of 7.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1,2-diphenylindol-3-yl)methylideneamino]aniline is sourced from PubChem (CID 4190945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).