1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine

C54H36N4S4 — CID 118133826

IUPAC1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine
SMILESc1ccc2c(c1)sc1c(N3CCN(c4cccc5c4sc4ccccc45)C3=C3N(c4cccc5c4sc4ccccc45)CCN3c3cccc4c3sc3ccccc34)cccc12
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/h1-28H,29-32H2
InChIKeyKXRUSQOHMGEZRJ-UHFFFAOYSA-N
MW869.18 g/mol
LogP15.64
Rot. Bonds4

About 1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine

1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine (PubChem CID 118133826) has the molecular formula C54H36N4S4 and a molecular weight of 869.18 g/mol. Its IUPAC name is 1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine.

Molecular Properties

Compound Name1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine
PubChem CID118133826
Molecular FormulaC54H36N4S4
Molecular Weight869.18 g/mol
Exact Mass868.18
IUPAC Name1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine
SMILESc1ccc2c(c1)sc1c(N3CCN(c4cccc5c4sc4ccccc45)C3=C3N(c4cccc5c4sc4ccccc45)CCN3c3cccc4c3sc3ccccc34)cccc12
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/h1-28H,29-32H2
InChIKeyKXRUSQOHMGEZRJ-UHFFFAOYSA-N
XLogP15.64
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 ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-dibenzothiophen-4-yl-4-(1-dibenzothiophen-4-yl-4-pyridinylidene)pyridine
CID 118952300
(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
di(dibenzothiophen-4-yl)borinic acid
CID 73387203
tetra(dibenzothiophen-4-yl)-λ4-sulfane
CID 134590724
9-dibenzothiophen-4-yl-3-methylcarbazole
CID 90224671
8,14-di(dibenzothiophen-4-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 153317149
dibenzothiophene-4-sulfonamide
CID 150056476
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole
CID 90225193
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
2-dibenzothiophen-4-ylaniline
CID 58050240
4-cyclopropyldibenzothiophene
CID 54752889

Frequently Asked Questions

What is the IUPAC name of 1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine?
The IUPAC name of 1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine (CID 118133826) is 1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine.
What is the SMILES notation for 1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine?
The canonical SMILES for 1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine is c1ccc2c(c1)sc1c(N3CCN(c4cccc5c4sc4ccccc45)C3=C3N(c4cccc5c4sc4ccccc45)CCN3c3cccc4c3sc3ccccc34)cccc12.
What is the InChIKey of 1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine?
The InChIKey is KXRUSQOHMGEZRJ-UHFFFAOYSA-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/h1-28H,29-32H2.
What are the key properties of 1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine?
1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine has a molecular weight of 869.18 g/mol, XLogP of 15.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine is sourced from PubChem (CID 118133826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).