N-(6-phenoxazin-10-ylhexyl)-N-phenylaniline

C30H30N2O — CID 54754280

IUPACN-(6-phenoxazin-10-ylhexyl)-N-phenylaniline
SMILESc1ccc(N(CCCCCCN2c3ccccc3Oc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C30H30N2O/c1(13-23-31(25-15-5-3-6-16-25)26-17-7-4-8-18-26)2-14-24-32-27-19-9-11-21-29(27)33-30-22-12-10-20-28(30)32/h3-12,15-22H,1-2,13-14,23-24H2
InChIKeyQIWWANFHYVBJEB-UHFFFAOYSA-N
MW434.58 g/mol
LogP8.33
Rot. Bonds9

About N-(6-phenoxazin-10-ylhexyl)-N-phenylaniline

N-(6-phenoxazin-10-ylhexyl)-N-phenylaniline (PubChem CID 54754280) has the molecular formula C30H30N2O and a molecular weight of 434.58 g/mol. Its IUPAC name is N-(6-phenoxazin-10-ylhexyl)-N-phenylaniline.

Molecular Properties

Compound NameN-(6-phenoxazin-10-ylhexyl)-N-phenylaniline
PubChem CID54754280
Molecular FormulaC30H30N2O
Molecular Weight434.58 g/mol
Exact Mass434.24
IUPAC NameN-(6-phenoxazin-10-ylhexyl)-N-phenylaniline
SMILESc1ccc(N(CCCCCCN2c3ccccc3Oc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C30H30N2O/c1(13-23-31(25-15-5-3-6-16-25)26-17-7-4-8-18-26)2-14-24-32-27-19-9-11-21-29(27)33-30-22-12-10-20-28(30)32/h3-12,15-22H,1-2,13-14,23-24H2
InChIKeyQIWWANFHYVBJEB-UHFFFAOYSA-N
XLogP8.33
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;10-hexylphenoxazine
CID 143421722
N-(8-chlorooctyl)-N-phenylaniline
CID 10852868
4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine;hydrochloride
CID 16760284
6-(6-oxobenzo[b][1,4]benzoxazepin-5-yl)hexanoic acid
CID 142782394
10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine
CID 59372977
butane;N-octyl-N-phenylaniline
CID 175431375
1-[4-(N-phenylanilino)butyl]piperidin-4-ol
CID 59372998
sodium 3-phenoxazin-10-ylpropanoate
CID 139603651
2-[4-(3-phenoxazin-10-ylpropoxy)-1H-indol-3-yl]acetic acid
CID 68894491
10-iodophenoxazine
CID 89024147
(3R)-1-[6-(N-phenylanilino)hexyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261987
N-butyl-N-phenylaniline;hydrobromide
CID 70419495

Frequently Asked Questions

What is the IUPAC name of N-(6-phenoxazin-10-ylhexyl)-N-phenylaniline?
The IUPAC name of N-(6-phenoxazin-10-ylhexyl)-N-phenylaniline (CID 54754280) is N-(6-phenoxazin-10-ylhexyl)-N-phenylaniline.
What is the SMILES notation for N-(6-phenoxazin-10-ylhexyl)-N-phenylaniline?
The canonical SMILES for N-(6-phenoxazin-10-ylhexyl)-N-phenylaniline is c1ccc(N(CCCCCCN2c3ccccc3Oc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of N-(6-phenoxazin-10-ylhexyl)-N-phenylaniline?
The InChIKey is QIWWANFHYVBJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O/c1(13-23-31(25-15-5-3-6-16-25)26-17-7-4-8-18-26)2-14-24-32-27-19-9-11-21-29(27)33-30-22-12-10-20-28(30)32/h3-12,15-22H,1-2,13-14,23-24H2.
What are the key properties of N-(6-phenoxazin-10-ylhexyl)-N-phenylaniline?
N-(6-phenoxazin-10-ylhexyl)-N-phenylaniline has a molecular weight of 434.58 g/mol, XLogP of 8.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenoxazin-10-ylhexyl)-N-phenylaniline is sourced from PubChem (CID 54754280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).