N-methylideneindiganyl-N-phenylaniline

C13H12InN — CID 163637405

IUPACN-methylideneindiganyl-N-phenylaniline
SMILESC=[In]N(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10N.CH2.In/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-10H;1H2;/q-1;;+1
InChIKeyIBJOJPWJBAXKPC-UHFFFAOYSA-N
MW297.06 g/mol
LogP2.88
Rot. Bonds3

About N-methylideneindiganyl-N-phenylaniline

N-methylideneindiganyl-N-phenylaniline (PubChem CID 163637405) has the molecular formula C13H12InN and a molecular weight of 297.06 g/mol. Its IUPAC name is N-methylideneindiganyl-N-phenylaniline.

Molecular Properties

Compound NameN-methylideneindiganyl-N-phenylaniline
PubChem CID163637405
Molecular FormulaC13H12InN
Molecular Weight297.06 g/mol
Exact Mass297.00
IUPAC NameN-methylideneindiganyl-N-phenylaniline
SMILESC=[In]N(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10N.CH2.In/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-10H;1H2;/q-1;;+1
InChIKeyIBJOJPWJBAXKPC-UHFFFAOYSA-N
XLogP2.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.06
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diphenylaniline;ethene
CID 135186601
N,N-dimethylaniline;hydrofluoride
CID 160775229
ethene;N-methyl-N-phenylaniline
CID 144541479
N,N-diphenylaniline;silane
CID 131739129
(2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine
CID 139888641
N,N-dimethylaniline
CID 70392672
acetylene;N,N-diphenylaniline
CID 162160270
azane;N,N-diphenylaniline;methane
CID 174725062
N-dimethylboranyl-N-methylaniline
CID 5326242
N,N-dimethylaniline;hydron
CID 174471199
CID 13027417
CID 13027417
CID 88738061
CID 88738061

Frequently Asked Questions

What is the IUPAC name of N-methylideneindiganyl-N-phenylaniline?
The IUPAC name of N-methylideneindiganyl-N-phenylaniline (CID 163637405) is N-methylideneindiganyl-N-phenylaniline.
What is the SMILES notation for N-methylideneindiganyl-N-phenylaniline?
The canonical SMILES for N-methylideneindiganyl-N-phenylaniline is C=[In]N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-methylideneindiganyl-N-phenylaniline?
The InChIKey is IBJOJPWJBAXKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N.CH2.In/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-10H;1H2;/q-1;;+1.
What are the key properties of N-methylideneindiganyl-N-phenylaniline?
N-methylideneindiganyl-N-phenylaniline has a molecular weight of 297.06 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylideneindiganyl-N-phenylaniline is sourced from PubChem (CID 163637405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).