1-phenyl-N-[(2R)-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-yl]methanimine

C29H24N2 — CID 163076513

IUPAC1-phenyl-N-[(2R)-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-yl]methanimine
SMILESC(=Cc1cc2c(cc1/N=C/c1ccccc1)N[C@@H](c1ccccc1)C2)c1ccccc1
InChIInChI=1S/C29H24N2/c1-4-10-22(11-5-1)16-17-25-18-26-19-28(24-14-8-3-9-15-24)31-29(26)20-27(25)30-21-23-12-6-2-7-13-23/h1-18,20-21,28,31H,19H2/b17-16?,30-21+/t28-/m1/s1
InChIKeyNNHUHSLDRWWVTG-CRZYQNARSA-N
MW400.53 g/mol
LogP7.32
Rot. Bonds5

About 1-phenyl-N-[(2R)-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-yl]methanimine

1-phenyl-N-[(2R)-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-yl]methanimine (PubChem CID 163076513) has the molecular formula C29H24N2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-phenyl-N-[(2R)-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-yl]methanimine.

Molecular Properties

Compound Name1-phenyl-N-[(2R)-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-yl]methanimine
PubChem CID163076513
Molecular FormulaC29H24N2
Molecular Weight400.53 g/mol
Exact Mass400.19
IUPAC Name1-phenyl-N-[(2R)-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-yl]methanimine
SMILESC(=Cc1cc2c(cc1/N=C/c1ccccc1)N[C@@H](c1ccccc1)C2)c1ccccc1
InChIInChI=1S/C29H24N2/c1-4-10-22(11-5-1)16-17-25-18-26-19-28(24-14-8-3-9-15-24)31-29(26)20-27(25)30-21-23-12-6-2-7-13-23/h1-18,20-21,28,31H,19H2/b17-16?,30-21+/t28-/m1/s1
InChIKeyNNHUHSLDRWWVTG-CRZYQNARSA-N
XLogP7.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2R)-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-yl]methanimine?
The IUPAC name of 1-phenyl-N-[(2R)-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-yl]methanimine (CID 163076513) is 1-phenyl-N-[(2R)-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-yl]methanimine.
What is the SMILES notation for 1-phenyl-N-[(2R)-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-yl]methanimine?
The canonical SMILES for 1-phenyl-N-[(2R)-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-yl]methanimine is C(=Cc1cc2c(cc1/N=C/c1ccccc1)N[C@@H](c1ccccc1)C2)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(2R)-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-yl]methanimine?
The InChIKey is NNHUHSLDRWWVTG-CRZYQNARSA-N. The full InChI is InChI=1S/C29H24N2/c1-4-10-22(11-5-1)16-17-25-18-26-19-28(24-14-8-3-9-15-24)31-29(26)20-27(25)30-21-23-12-6-2-7-13-23/h1-18,20-21,28,31H,19H2/b17-16?,30-21+/t28-/m1/s1.
What are the key properties of 1-phenyl-N-[(2R)-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-yl]methanimine?
1-phenyl-N-[(2R)-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-yl]methanimine has a molecular weight of 400.53 g/mol, XLogP of 7.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2R)-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-yl]methanimine is sourced from PubChem (CID 163076513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).