N-(2,4-dimethylphenyl)-1-(1,2-diphenylindol-3-yl)methanimine

C29H24N2 — CID 2307285

IUPACN-(2,4-dimethylphenyl)-1-(1,2-diphenylindol-3-yl)methanimine
SMILESCc1ccc(/N=C/c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)c(C)c1
InChIInChI=1S/C29H24N2/c1-21-17-18-27(22(2)19-21)30-20-26-25-15-9-10-16-28(25)31(24-13-7-4-8-14-24)29(26)23-11-5-3-6-12-23/h3-20H,1-2H3/b30-20+
InChIKeyYMGFCNSRCFOJRR-TWKHWXDSSA-N
MW400.53 g/mol
LogP7.66
Rot. Bonds4

About N-(2,4-dimethylphenyl)-1-(1,2-diphenylindol-3-yl)methanimine

N-(2,4-dimethylphenyl)-1-(1,2-diphenylindol-3-yl)methanimine (PubChem CID 2307285) has the molecular formula C29H24N2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(1,2-diphenylindol-3-yl)methanimine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(1,2-diphenylindol-3-yl)methanimine
PubChem CID2307285
Molecular FormulaC29H24N2
Molecular Weight400.53 g/mol
Exact Mass400.19
IUPAC NameN-(2,4-dimethylphenyl)-1-(1,2-diphenylindol-3-yl)methanimine
SMILESCc1ccc(/N=C/c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)c(C)c1
InChIInChI=1S/C29H24N2/c1-21-17-18-27(22(2)19-21)30-20-26-25-15-9-10-16-28(25)31(24-13-7-4-8-14-24)29(26)23-11-5-3-6-12-23/h3-20H,1-2H3/b30-20+
InChIKeyYMGFCNSRCFOJRR-TWKHWXDSSA-N
XLogP7.66
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(1,2-diphenylindol-3-yl)methanimine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(1,2-diphenylindol-3-yl)methanimine (CID 2307285) is N-(2,4-dimethylphenyl)-1-(1,2-diphenylindol-3-yl)methanimine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(1,2-diphenylindol-3-yl)methanimine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(1,2-diphenylindol-3-yl)methanimine is Cc1ccc(/N=C/c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(1,2-diphenylindol-3-yl)methanimine?
The InChIKey is YMGFCNSRCFOJRR-TWKHWXDSSA-N. The full InChI is InChI=1S/C29H24N2/c1-21-17-18-27(22(2)19-21)30-20-26-25-15-9-10-16-28(25)31(24-13-7-4-8-14-24)29(26)23-11-5-3-6-12-23/h3-20H,1-2H3/b30-20+.
What are the key properties of N-(2,4-dimethylphenyl)-1-(1,2-diphenylindol-3-yl)methanimine?
N-(2,4-dimethylphenyl)-1-(1,2-diphenylindol-3-yl)methanimine has a molecular weight of 400.53 g/mol, XLogP of 7.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(1,2-diphenylindol-3-yl)methanimine is sourced from PubChem (CID 2307285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).