(2E)-1-dibenzothiophen-4-yl-2-(1-dibenzothiophen-4-yl-3-dibenzothiophen-4-ylimidazolidin-2-ylidene)-3-(2,3-dihydrodibenzothiophen-4-yl)imidazolidine

C54H36N4S4 — CID 134437186

IUPAC(2E)-1-dibenzothiophen-4-yl-2-(1-dibenzothiophen-4-yl-3-dibenzothiophen-4-ylimidazolidin-2-ylidene)-3-(2,3-dihydrodibenzothiophen-4-yl)imidazolidine
SMILESC1=C=C(N2CCN(c3cccc4c3sc3ccccc34)/C2=C2/N(C3=c4sc5ccccc5c4=CCC3)CCN2c2cccc3c2sc2ccccc23)c2sc3ccccc3c2C=1
InChIInChI=1S/C54H36N4S4/c1-5-25-45-33(13-1)37-17-9-21-41(49(37)59-45)55-29-30-56(42-22-10-18-38-34-14-2-6-26-46(34)60-50(38)42)53(55)54-57(43-23-11-19-39-35-15-3-7-27-47(35)61-51(39)43)31-32-58(54)44-24-12-20-40-36-16-4-8-28-48(36)62-52(40)44/h1-9,11,13-21,23,25-28H,10,22,29-32H2/b54-53-
InChIKeyPEKAOMDLKIXJAQ-QOLNFUTBSA-N
MW869.18 g/mol
LogP13.13
Rot. Bonds4

About (2E)-1-dibenzothiophen-4-yl-2-(1-dibenzothiophen-4-yl-3-dibenzothiophen-4-ylimidazolidin-2-ylidene)-3-(2,3-dihydrodibenzothiophen-4-yl)imidazolidine

(2E)-1-dibenzothiophen-4-yl-2-(1-dibenzothiophen-4-yl-3-dibenzothiophen-4-ylimidazolidin-2-ylidene)-3-(2,3-dihydrodibenzothiophen-4-yl)imidazolidine (PubChem CID 134437186) has the molecular formula C54H36N4S4 and a molecular weight of 869.18 g/mol. Its IUPAC name is (2E)-1-dibenzothiophen-4-yl-2-(1-dibenzothiophen-4-yl-3-dibenzothiophen-4-ylimidazolidin-2-ylidene)-3-(2,3-dihydrodibenzothiophen-4-yl)imidazolidine.

Molecular Properties

Compound Name(2E)-1-dibenzothiophen-4-yl-2-(1-dibenzothiophen-4-yl-3-dibenzothiophen-4-ylimidazolidin-2-ylidene)-3-(2,3-dihydrodibenzothiophen-4-yl)imidazolidine
PubChem CID134437186
Molecular FormulaC54H36N4S4
Molecular Weight869.18 g/mol
Exact Mass868.18
IUPAC Name(2E)-1-dibenzothiophen-4-yl-2-(1-dibenzothiophen-4-yl-3-dibenzothiophen-4-ylimidazolidin-2-ylidene)-3-(2,3-dihydrodibenzothiophen-4-yl)imidazolidine
SMILESC1=C=C(N2CCN(c3cccc4c3sc3ccccc34)/C2=C2/N(C3=c4sc5ccccc5c4=CCC3)CCN2c2cccc3c2sc2ccccc23)c2sc3ccccc3c2C=1
InChIInChI=1S/C54H36N4S4/c1-5-25-45-33(13-1)37-17-9-21-41(49(37)59-45)55-29-30-56(42-22-10-18-38-34-14-2-6-26-46(34)60-50(38)42)53(55)54-57(43-23-11-19-39-35-15-3-7-27-47(35)61-51(39)43)31-32-58(54)44-24-12-20-40-36-16-4-8-28-48(36)62-52(40)44/h1-9,11,13-21,23,25-28H,10,22,29-32H2/b54-53-
InChIKeyPEKAOMDLKIXJAQ-QOLNFUTBSA-N
XLogP13.13
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.18
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2E)-1-dibenzothiophen-4-yl-2-(1-dibenzothiophen-4-yl-3-dibenzothiophen-4-ylimidazolidin-2-ylidene)-3-(2,3-dihydrodibenzothiophen-4-yl)imidazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine
CID 118133826
2,3-dihydrodibenzothiophen-4-amine
CID 145360943
2-[4-(2,3-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 142615088
1-dibenzothiophen-4-yl-4-(1-dibenzothiophen-4-yl-4-pyridinylidene)pyridine
CID 118952300
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
10-(2,3-dihydrodibenzothiophen-4-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine
CID 176816066
5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole
CID 90225193
3-dibenzothiophen-4-yl-2-(1,2,7,8-tetrahydrocarbazol-9-yl)aniline
CID 126596666
di(dibenzothiophen-4-yl)borinic acid
CID 73387203
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
5,10-di(dibenzothiophen-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene
CID 134428168
tetra(dibenzothiophen-4-yl)-λ4-sulfane
CID 134590724

Frequently Asked Questions

What is the IUPAC name of (2E)-1-dibenzothiophen-4-yl-2-(1-dibenzothiophen-4-yl-3-dibenzothiophen-4-ylimidazolidin-2-ylidene)-3-(2,3-dihydrodibenzothiophen-4-yl)imidazolidine?
The IUPAC name of (2E)-1-dibenzothiophen-4-yl-2-(1-dibenzothiophen-4-yl-3-dibenzothiophen-4-ylimidazolidin-2-ylidene)-3-(2,3-dihydrodibenzothiophen-4-yl)imidazolidine (CID 134437186) is (2E)-1-dibenzothiophen-4-yl-2-(1-dibenzothiophen-4-yl-3-dibenzothiophen-4-ylimidazolidin-2-ylidene)-3-(2,3-dihydrodibenzothiophen-4-yl)imidazolidine.
What is the SMILES notation for (2E)-1-dibenzothiophen-4-yl-2-(1-dibenzothiophen-4-yl-3-dibenzothiophen-4-ylimidazolidin-2-ylidene)-3-(2,3-dihydrodibenzothiophen-4-yl)imidazolidine?
The canonical SMILES for (2E)-1-dibenzothiophen-4-yl-2-(1-dibenzothiophen-4-yl-3-dibenzothiophen-4-ylimidazolidin-2-ylidene)-3-(2,3-dihydrodibenzothiophen-4-yl)imidazolidine is C1=C=C(N2CCN(c3cccc4c3sc3ccccc34)/C2=C2/N(C3=c4sc5ccccc5c4=CCC3)CCN2c2cccc3c2sc2ccccc23)c2sc3ccccc3c2C=1.
What is the InChIKey of (2E)-1-dibenzothiophen-4-yl-2-(1-dibenzothiophen-4-yl-3-dibenzothiophen-4-ylimidazolidin-2-ylidene)-3-(2,3-dihydrodibenzothiophen-4-yl)imidazolidine?
The InChIKey is PEKAOMDLKIXJAQ-QOLNFUTBSA-N. The full InChI is InChI=1S/C54H36N4S4/c1-5-25-45-33(13-1)37-17-9-21-41(49(37)59-45)55-29-30-56(42-22-10-18-38-34-14-2-6-26-46(34)60-50(38)42)53(55)54-57(43-23-11-19-39-35-15-3-7-27-47(35)61-51(39)43)31-32-58(54)44-24-12-20-40-36-16-4-8-28-48(36)62-52(40)44/h1-9,11,13-21,23,25-28H,10,22,29-32H2/b54-53-.
What are the key properties of (2E)-1-dibenzothiophen-4-yl-2-(1-dibenzothiophen-4-yl-3-dibenzothiophen-4-ylimidazolidin-2-ylidene)-3-(2,3-dihydrodibenzothiophen-4-yl)imidazolidine?
(2E)-1-dibenzothiophen-4-yl-2-(1-dibenzothiophen-4-yl-3-dibenzothiophen-4-ylimidazolidin-2-ylidene)-3-(2,3-dihydrodibenzothiophen-4-yl)imidazolidine has a molecular weight of 869.18 g/mol, XLogP of 13.13, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-dibenzothiophen-4-yl-2-(1-dibenzothiophen-4-yl-3-dibenzothiophen-4-ylimidazolidin-2-ylidene)-3-(2,3-dihydrodibenzothiophen-4-yl)imidazolidine is sourced from PubChem (CID 134437186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).