4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline

C36H27NO6S3 — CID 59696867

IUPAC4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline
SMILESc1cc(N(c2ccc(-c3scc4c3OCCO4)cc2)c2ccc(-c3scc4c3OCCO4)cc2)ccc1-c1scc2c1OCCO2
InChIInChI=1S/C36H27NO6S3/c1-7-25(8-2-22(1)34-31-28(19-44-34)38-13-16-41-31)37(26-9-3-23(4-10-26)35-32-29(20-45-35)39-14-17-42-32)27-11-5-24(6-12-27)36-33-30(21-46-36)40-15-18-43-33/h1-12,19-21H,13-18H2
InChIKeyUCYFIACMVULZOW-UHFFFAOYSA-N
MW665.81 g/mol
LogP9.66
Rot. Bonds6

About 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline

4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline (PubChem CID 59696867) has the molecular formula C36H27NO6S3 and a molecular weight of 665.81 g/mol. Its IUPAC name is 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline
PubChem CID59696867
Molecular FormulaC36H27NO6S3
Molecular Weight665.81 g/mol
Exact Mass665.10
IUPAC Name4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline
SMILESc1cc(N(c2ccc(-c3scc4c3OCCO4)cc2)c2ccc(-c3scc4c3OCCO4)cc2)ccc1-c1scc2c1OCCO2
InChIInChI=1S/C36H27NO6S3/c1-7-25(8-2-22(1)34-31-28(19-44-34)38-13-16-41-31)37(26-9-3-23(4-10-26)35-32-29(20-45-35)39-14-17-42-32)27-11-5-24(6-12-27)36-33-30(21-46-36)40-15-18-43-33/h1-12,19-21H,13-18H2
InChIKeyUCYFIACMVULZOW-UHFFFAOYSA-N
XLogP9.66
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.81
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline with MolForge

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Related Compounds

ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 143921758
4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline
CID 67470058
4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-diphenylaniline
CID 118066965
N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 138657528
5-[7'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2'-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 122374442
5-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-7-carbaldehyde
CID 102200809
5-[37-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,5,8,11,14,19,22,25,28,31-decaoxatricyclo[30.2.2.215,18]octatriaconta-1(35),15(38),16,18(37),32(36),33-hexaen-16-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 101083547
6,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,3-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 171060555
9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluorene-2,7-diamine
CID 90057824
2-N',2-N',7-N',7-N'-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 90057855
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline
CID 141358089
11,23-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol
CID 59165250

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline?
The IUPAC name of 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline (CID 59696867) is 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline.
What is the SMILES notation for 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline?
The canonical SMILES for 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline is c1cc(N(c2ccc(-c3scc4c3OCCO4)cc2)c2ccc(-c3scc4c3OCCO4)cc2)ccc1-c1scc2c1OCCO2.
What is the InChIKey of 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline?
The InChIKey is UCYFIACMVULZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27NO6S3/c1-7-25(8-2-22(1)34-31-28(19-44-34)38-13-16-41-31)37(26-9-3-23(4-10-26)35-32-29(20-45-35)39-14-17-42-32)27-11-5-24(6-12-27)36-33-30(21-46-36)40-15-18-43-33/h1-12,19-21H,13-18H2.
What are the key properties of 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline?
4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline has a molecular weight of 665.81 g/mol, XLogP of 9.66, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline is sourced from PubChem (CID 59696867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).