4-(4-morpholin-4-yl-3,5-dinaphthalen-2-ylthiophen-2-yl)morpholine

C32H30N2O2S — CID 135027865

IUPAC4-(4-morpholin-4-yl-3,5-dinaphthalen-2-ylthiophen-2-yl)morpholine
SMILESc1ccc2cc(-c3sc(N4CCOCC4)c(-c4ccc5ccccc5c4)c3N3CCOCC3)ccc2c1
InChIInChI=1S/C32H30N2O2S/c1-3-7-25-21-27(11-9-23(25)5-1)29-30(33-13-17-35-18-14-33)31(37-32(29)34-15-19-36-20-16-34)28-12-10-24-6-2-4-8-26(24)22-28/h1-12,21-22H,13-20H2
InChIKeyBOFLSMAMJUHSMV-UHFFFAOYSA-N
MW506.67 g/mol
LogP7.06
Rot. Bonds4

About 4-(4-morpholin-4-yl-3,5-dinaphthalen-2-ylthiophen-2-yl)morpholine

4-(4-morpholin-4-yl-3,5-dinaphthalen-2-ylthiophen-2-yl)morpholine (PubChem CID 135027865) has the molecular formula C32H30N2O2S and a molecular weight of 506.67 g/mol. Its IUPAC name is 4-(4-morpholin-4-yl-3,5-dinaphthalen-2-ylthiophen-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-morpholin-4-yl-3,5-dinaphthalen-2-ylthiophen-2-yl)morpholine
PubChem CID135027865
Molecular FormulaC32H30N2O2S
Molecular Weight506.67 g/mol
Exact Mass506.20
IUPAC Name4-(4-morpholin-4-yl-3,5-dinaphthalen-2-ylthiophen-2-yl)morpholine
SMILESc1ccc2cc(-c3sc(N4CCOCC4)c(-c4ccc5ccccc5c4)c3N3CCOCC3)ccc2c1
InChIInChI=1S/C32H30N2O2S/c1-3-7-25-21-27(11-9-23(25)5-1)29-30(33-13-17-35-18-14-33)31(37-32(29)34-15-19-36-20-16-34)28-12-10-24-6-2-4-8-26(24)22-28/h1-12,21-22H,13-20H2
InChIKeyBOFLSMAMJUHSMV-UHFFFAOYSA-N
XLogP7.06
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.67
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-morpholin-4-yl-3,5-dinaphthalen-2-ylthiophen-2-yl)morpholine with MolForge

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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-[Difluoro(naphthalen-2-yl)methyl]-3-isocyano-5-methylthiophen-2-yl]morpholine
CID 157334711
4-[4-[(6-Fluoronaphthalen-2-yl)methyl]-3-isocyano-5-methylthiophen-2-yl]morpholine
CID 158578116
4-[4-[(4-Fluoronaphthalen-2-yl)methyl]-3-isocyano-5-methylthiophen-2-yl]morpholine
CID 160016260
4-[4-[(1-Fluoronaphthalen-2-yl)methyl]-3-isocyano-5-methylthiophen-2-yl]morpholine
CID 160610295
4-[4-[Fluoro(naphthalen-2-yl)methyl]-3-isocyano-5-methylthiophen-2-yl]morpholine
CID 160727640
4-[4-[(7-Fluoronaphthalen-2-yl)methyl]-3-isocyano-5-methylthiophen-2-yl]morpholine
CID 160908376
4-[4-[(3-Fluoronaphthalen-2-yl)methyl]-3-isocyano-5-methylthiophen-2-yl]morpholine
CID 162059920
4-[4-[(5-Fluoronaphthalen-2-yl)methyl]-3-isocyano-5-methylthiophen-2-yl]morpholine
CID 162103300
4-(5-Benzo[b]pyren-6-ylthiophen-2-yl)morpholine
CID 11133553

Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-yl-3,5-dinaphthalen-2-ylthiophen-2-yl)morpholine?
The IUPAC name of 4-(4-morpholin-4-yl-3,5-dinaphthalen-2-ylthiophen-2-yl)morpholine (CID 135027865) is 4-(4-morpholin-4-yl-3,5-dinaphthalen-2-ylthiophen-2-yl)morpholine.
What is the SMILES notation for 4-(4-morpholin-4-yl-3,5-dinaphthalen-2-ylthiophen-2-yl)morpholine?
The canonical SMILES for 4-(4-morpholin-4-yl-3,5-dinaphthalen-2-ylthiophen-2-yl)morpholine is c1ccc2cc(-c3sc(N4CCOCC4)c(-c4ccc5ccccc5c4)c3N3CCOCC3)ccc2c1.
What is the InChIKey of 4-(4-morpholin-4-yl-3,5-dinaphthalen-2-ylthiophen-2-yl)morpholine?
The InChIKey is BOFLSMAMJUHSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O2S/c1-3-7-25-21-27(11-9-23(25)5-1)29-30(33-13-17-35-18-14-33)31(37-32(29)34-15-19-36-20-16-34)28-12-10-24-6-2-4-8-26(24)22-28/h1-12,21-22H,13-20H2.
What are the key properties of 4-(4-morpholin-4-yl-3,5-dinaphthalen-2-ylthiophen-2-yl)morpholine?
4-(4-morpholin-4-yl-3,5-dinaphthalen-2-ylthiophen-2-yl)morpholine has a molecular weight of 506.67 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-yl-3,5-dinaphthalen-2-ylthiophen-2-yl)morpholine is sourced from PubChem (CID 135027865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).