N-phenyl-3-phenyliminoindol-2-amine

C20H15N3 — CID 135411828

IUPACN-phenyl-3-phenyliminoindol-2-amine
SMILESc1ccc(/N=C2/C(Nc3ccccc3)=Nc3ccccc32)cc1
InChIInChI=1S/C20H15N3/c1-3-9-15(10-4-1)21-19-17-13-7-8-14-18(17)23-20(19)22-16-11-5-2-6-12-16/h1-14H,(H,21,22,23)
InChIKeyLABGTOMLTAIIPU-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.96
Rot. Bonds2

About N-phenyl-3-phenyliminoindol-2-amine

N-phenyl-3-phenyliminoindol-2-amine (PubChem CID 135411828) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-phenyl-3-phenyliminoindol-2-amine.

Molecular Properties

Compound NameN-phenyl-3-phenyliminoindol-2-amine
PubChem CID135411828
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC NameN-phenyl-3-phenyliminoindol-2-amine
SMILESc1ccc(/N=C2/C(Nc3ccccc3)=Nc3ccccc32)cc1
InChIInChI=1S/C20H15N3/c1-3-9-15(10-4-1)21-19-17-13-7-8-14-18(17)23-20(19)22-16-11-5-2-6-12-16/h1-14H,(H,21,22,23)
InChIKeyLABGTOMLTAIIPU-UHFFFAOYSA-N
XLogP4.96
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_A(9)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-phenyliminoindol-2-amine?
The IUPAC name of N-phenyl-3-phenyliminoindol-2-amine (CID 135411828) is N-phenyl-3-phenyliminoindol-2-amine.
What is the SMILES notation for N-phenyl-3-phenyliminoindol-2-amine?
The canonical SMILES for N-phenyl-3-phenyliminoindol-2-amine is c1ccc(/N=C2/C(Nc3ccccc3)=Nc3ccccc32)cc1.
What is the InChIKey of N-phenyl-3-phenyliminoindol-2-amine?
The InChIKey is LABGTOMLTAIIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c1-3-9-15(10-4-1)21-19-17-13-7-8-14-18(17)23-20(19)22-16-11-5-2-6-12-16/h1-14H,(H,21,22,23).
What are the key properties of N-phenyl-3-phenyliminoindol-2-amine?
N-phenyl-3-phenyliminoindol-2-amine has a molecular weight of 297.36 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-phenyliminoindol-2-amine is sourced from PubChem (CID 135411828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).