1-[5-[[4-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine

C30H36N2O2S2 — CID 3071780

IUPAC1-[5-[[4-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CSCc2ccc(-c3ccc(CSCc4ccc(CN(C)C)o4)cc3)cc2)o1
InChIInChI=1S/C30H36N2O2S2/c1-31(2)17-27-13-15-29(33-27)21-35-19-23-5-9-25(10-6-23)26-11-7-24(8-12-26)20-36-22-30-16-14-28(34-30)18-32(3)4/h5-16H,17-22H2,1-4H3
InChIKeyRVVWDYHZWLAHCI-UHFFFAOYSA-N
MW520.76 g/mol
LogP7.53
Rot. Bonds13

About 1-[5-[[4-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine

1-[5-[[4-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine (PubChem CID 3071780) has the molecular formula C30H36N2O2S2 and a molecular weight of 520.76 g/mol. Its IUPAC name is 1-[5-[[4-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[[4-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
PubChem CID3071780
Molecular FormulaC30H36N2O2S2
Molecular Weight520.76 g/mol
Exact Mass520.22
IUPAC Name1-[5-[[4-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CSCc2ccc(-c3ccc(CSCc4ccc(CN(C)C)o4)cc3)cc2)o1
InChIInChI=1S/C30H36N2O2S2/c1-31(2)17-27-13-15-29(33-27)21-35-19-23-5-9-25(10-6-23)26-11-7-24(8-12-26)20-36-22-30-16-14-28(34-30)18-32(3)4/h5-16H,17-22H2,1-4H3
InChIKeyRVVWDYHZWLAHCI-UHFFFAOYSA-N
XLogP7.53
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.76
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-[[4-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

2-Furanmethanamine, 5,5'-(1,3-propanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071772
2-Furanmethanamine, 5,5'-(1,4-butanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071773
2-Furanmethanamine, 5,5'-(1,5-pentanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071774
2-Furanmethanamine, 5,5'-(1,6-hexanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071775
2-Furanmethanamine, 5,5'-(1,7-heptanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071776
2-Furanmethanamine, 5,5'-(1,8-octanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071777
2-Furanmethanamine, 5,5'-(1,9-nonanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071778
2-Furanmethanamine, 5,5'-(1,4-phenylenebis(methylenethiomethylene))bis(N,N-dimethyl-
CID 3071779
2-Furanmethanamine, 5,5'-(1,2-ethanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3088389
{5-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanylmethyl)-benzylsulfanylmethyl]-furan-2-ylmethyl}-dimethyl-amine
CID 15164578
{5-[3-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanylmethyl)-benzylsulfanylmethyl]-furan-2-ylmethyl}-dimethyl-amine
CID 15164579
{5-[10-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-decylsulfanylmethyl]-furan-2-ylmethyl}-dimethyl-amine
CID 15164580

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[4-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[[4-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine (CID 3071780) is 1-[5-[[4-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[[4-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[[4-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(CSCc2ccc(-c3ccc(CSCc4ccc(CN(C)C)o4)cc3)cc2)o1.
What is the InChIKey of 1-[5-[[4-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
The InChIKey is RVVWDYHZWLAHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O2S2/c1-31(2)17-27-13-15-29(33-27)21-35-19-23-5-9-25(10-6-23)26-11-7-24(8-12-26)20-36-22-30-16-14-28(34-30)18-32(3)4/h5-16H,17-22H2,1-4H3.
What are the key properties of 1-[5-[[4-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
1-[5-[[4-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine has a molecular weight of 520.76 g/mol, XLogP of 7.53, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[4-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 3071780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).