4-[2,4-bis(4-bromophenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine

C24H24Br2N2O2S — CID 135027862

IUPAC4-[2,4-bis(4-bromophenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine
SMILESBrc1ccc(-c2sc(N3CCOCC3)c(-c3ccc(Br)cc3)c2N2CCOCC2)cc1
InChIInChI=1S/C24H24Br2N2O2S/c25-19-5-1-17(2-6-19)21-22(27-9-13-29-14-10-27)23(18-3-7-20(26)8-4-18)31-24(21)28-11-15-30-16-12-28/h1-8H,9-16H2
InChIKeyHKEFGOAWBPUJQN-UHFFFAOYSA-N
MW564.34 g/mol
LogP6.28
Rot. Bonds4

About 4-[2,4-bis(4-bromophenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine

4-[2,4-bis(4-bromophenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine (PubChem CID 135027862) has the molecular formula C24H24Br2N2O2S and a molecular weight of 564.34 g/mol. Its IUPAC name is 4-[2,4-bis(4-bromophenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine.

Molecular Properties

Compound Name4-[2,4-bis(4-bromophenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine
PubChem CID135027862
Molecular FormulaC24H24Br2N2O2S
Molecular Weight564.34 g/mol
Exact Mass561.99
IUPAC Name4-[2,4-bis(4-bromophenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine
SMILESBrc1ccc(-c2sc(N3CCOCC3)c(-c3ccc(Br)cc3)c2N2CCOCC2)cc1
InChIInChI=1S/C24H24Br2N2O2S/c25-19-5-1-17(2-6-19)21-22(27-9-13-29-14-10-27)23(18-3-7-20(26)8-4-18)31-24(21)28-11-15-30-16-12-28/h1-8H,9-16H2
InChIKeyHKEFGOAWBPUJQN-UHFFFAOYSA-N
XLogP6.28
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.34
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Di-morpholin-4-yl-2,4-di-p-tolyl-thiophene
CID 634828
Morpholine, 4,4'-(3,5-diphenyl-2,4-thiophenediyl)bis-
CID 10927641
4-[4-Morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine
CID 135027864
4-[4-(4-Bromophenyl)-3-(4-methylphenyl)-2-thienyl]morpholine
CID 8178288
4-[3-(4-Bromophenyl)-5-methylthiophen-2-yl]morpholine
CID 11450586
4-[4-(4-Bromophenyl)-3-phenylthiophen-2-yl]morpholine
CID 85858251
4-[4-(4-Bromophenyl)-3-(4-phenylphenyl)thiophen-2-yl]morpholine
CID 85983720
4-[3-(4-Bromophenyl)-4,5-diphenylthiophen-2-yl]morpholine
CID 85983731
4-[4-[(4-Bromophenyl)methyl]-3-isocyano-5-methylthiophen-2-yl]morpholine
CID 160742557

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis(4-bromophenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine?
The IUPAC name of 4-[2,4-bis(4-bromophenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine (CID 135027862) is 4-[2,4-bis(4-bromophenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine.
What is the SMILES notation for 4-[2,4-bis(4-bromophenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine?
The canonical SMILES for 4-[2,4-bis(4-bromophenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine is Brc1ccc(-c2sc(N3CCOCC3)c(-c3ccc(Br)cc3)c2N2CCOCC2)cc1.
What is the InChIKey of 4-[2,4-bis(4-bromophenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine?
The InChIKey is HKEFGOAWBPUJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Br2N2O2S/c25-19-5-1-17(2-6-19)21-22(27-9-13-29-14-10-27)23(18-3-7-20(26)8-4-18)31-24(21)28-11-15-30-16-12-28/h1-8H,9-16H2.
What are the key properties of 4-[2,4-bis(4-bromophenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine?
4-[2,4-bis(4-bromophenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine has a molecular weight of 564.34 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis(4-bromophenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine is sourced from PubChem (CID 135027862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).