4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine

C30H36N2O2 — CID 177392713

IUPAC4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine
SMILESC(#CC(c1ccccc1)N1CCOCC1)CCCCC#CC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C30H36N2O2/c1(3-11-17-29(27-13-7-5-8-14-27)31-19-23-33-24-20-31)2-4-12-18-30(28-15-9-6-10-16-28)32-21-25-34-26-22-32/h5-10,13-16,29-30H,1-4,19-26H2
InChIKeyLFHKXIICEZMQBE-UHFFFAOYSA-N
MW456.63 g/mol
LogP4.70
Rot. Bonds7

About 4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine

4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine (PubChem CID 177392713) has the molecular formula C30H36N2O2 and a molecular weight of 456.63 g/mol. Its IUPAC name is 4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine.

Molecular Properties

Compound Name4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine
PubChem CID177392713
Molecular FormulaC30H36N2O2
Molecular Weight456.63 g/mol
Exact Mass456.28
IUPAC Name4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine
SMILESC(#CC(c1ccccc1)N1CCOCC1)CCCCC#CC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C30H36N2O2/c1(3-11-17-29(27-13-7-5-8-14-27)31-19-23-33-24-20-31)2-4-12-18-30(28-15-9-6-10-16-28)32-21-25-34-26-22-32/h5-10,13-16,29-30H,1-4,19-26H2
InChIKeyLFHKXIICEZMQBE-UHFFFAOYSA-N
XLogP4.70
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.63
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1-phenylbut-2-ynyl)morpholine
CID 3787055
(3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane
CID 11325787
4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine
CID 869202
3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol
CID 102055055
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
1-morpholin-4-yl-1-phenylheptan-2-one
CID 102574890
(2R)-2-chloro-2-[(R)-morpholin-4-yl(phenyl)methyl]butanenitrile
CID 673390
4-(2-benzhydrylsulfinylethyl)morpholine
CID 4199893
2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride
CID 87063992
4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine
CID 39844404
2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile
CID 591795

Frequently Asked Questions

What is the IUPAC name of 4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine?
The IUPAC name of 4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine (CID 177392713) is 4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine.
What is the SMILES notation for 4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine?
The canonical SMILES for 4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine is C(#CC(c1ccccc1)N1CCOCC1)CCCCC#CC(c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine?
The InChIKey is LFHKXIICEZMQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O2/c1(3-11-17-29(27-13-7-5-8-14-27)31-19-23-33-24-20-31)2-4-12-18-30(28-15-9-6-10-16-28)32-21-25-34-26-22-32/h5-10,13-16,29-30H,1-4,19-26H2.
What are the key properties of 4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine?
4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine has a molecular weight of 456.63 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine is sourced from PubChem (CID 177392713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).