1-dibenzothiophen-4-yl-4-(1-dibenzothiophen-4-yl-4-pyridinylidene)pyridine

C34H22N2S2 — CID 118952300

IUPAC1-dibenzothiophen-4-yl-4-(1-dibenzothiophen-4-yl-4-pyridinylidene)pyridine
SMILESC1=CN(c2cccc3c2sc2ccccc23)C=CC1=C1C=CN(c2cccc3c2sc2ccccc23)C=C1
InChIInChI=1S/C34H22N2S2/c1-3-13-31-25(7-1)27-9-5-11-29(33(27)37-31)35-19-15-23(16-20-35)24-17-21-36(22-18-24)30-12-6-10-28-26-8-2-4-14-32(26)38-34(28)30/h1-22H
InChIKeyYTDNFGXEMVJKDJ-UHFFFAOYSA-N
MW522.70 g/mol
LogP10.11
Rot. Bonds2

About 1-dibenzothiophen-4-yl-4-(1-dibenzothiophen-4-yl-4-pyridinylidene)pyridine

1-dibenzothiophen-4-yl-4-(1-dibenzothiophen-4-yl-4-pyridinylidene)pyridine (PubChem CID 118952300) has the molecular formula C34H22N2S2 and a molecular weight of 522.70 g/mol. Its IUPAC name is 1-dibenzothiophen-4-yl-4-(1-dibenzothiophen-4-yl-4-pyridinylidene)pyridine.

Molecular Properties

Compound Name1-dibenzothiophen-4-yl-4-(1-dibenzothiophen-4-yl-4-pyridinylidene)pyridine
PubChem CID118952300
Molecular FormulaC34H22N2S2
Molecular Weight522.70 g/mol
Exact Mass522.12
IUPAC Name1-dibenzothiophen-4-yl-4-(1-dibenzothiophen-4-yl-4-pyridinylidene)pyridine
SMILESC1=CN(c2cccc3c2sc2ccccc23)C=CC1=C1C=CN(c2cccc3c2sc2ccccc23)C=C1
InChIInChI=1S/C34H22N2S2/c1-3-13-31-25(7-1)27-9-5-11-29(33(27)37-31)35-19-15-23(16-20-35)24-17-21-36(22-18-24)30-12-6-10-28-26-8-2-4-14-32(26)38-34(28)30/h1-22H
InChIKeyYTDNFGXEMVJKDJ-UHFFFAOYSA-N
XLogP10.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.70
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine
CID 118133826
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
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
di(dibenzothiophen-4-yl)borinic acid
CID 73387203
9-dibenzothiophen-4-yl-3-methylcarbazole
CID 90224671
tetra(dibenzothiophen-4-yl)-λ4-sulfane
CID 134590724
5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole
CID 90225193
dibenzothiophene-4-sulfonamide
CID 150056476
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
dibenzothiophene;methane
CID 162233710
2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole
CID 118505931
CID 174070723
CID 174070723

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-4-yl-4-(1-dibenzothiophen-4-yl-4-pyridinylidene)pyridine?
The IUPAC name of 1-dibenzothiophen-4-yl-4-(1-dibenzothiophen-4-yl-4-pyridinylidene)pyridine (CID 118952300) is 1-dibenzothiophen-4-yl-4-(1-dibenzothiophen-4-yl-4-pyridinylidene)pyridine.
What is the SMILES notation for 1-dibenzothiophen-4-yl-4-(1-dibenzothiophen-4-yl-4-pyridinylidene)pyridine?
The canonical SMILES for 1-dibenzothiophen-4-yl-4-(1-dibenzothiophen-4-yl-4-pyridinylidene)pyridine is C1=CN(c2cccc3c2sc2ccccc23)C=CC1=C1C=CN(c2cccc3c2sc2ccccc23)C=C1.
What is the InChIKey of 1-dibenzothiophen-4-yl-4-(1-dibenzothiophen-4-yl-4-pyridinylidene)pyridine?
The InChIKey is YTDNFGXEMVJKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2S2/c1-3-13-31-25(7-1)27-9-5-11-29(33(27)37-31)35-19-15-23(16-20-35)24-17-21-36(22-18-24)30-12-6-10-28-26-8-2-4-14-32(26)38-34(28)30/h1-22H.
What are the key properties of 1-dibenzothiophen-4-yl-4-(1-dibenzothiophen-4-yl-4-pyridinylidene)pyridine?
1-dibenzothiophen-4-yl-4-(1-dibenzothiophen-4-yl-4-pyridinylidene)pyridine has a molecular weight of 522.70 g/mol, XLogP of 10.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzothiophen-4-yl-4-(1-dibenzothiophen-4-yl-4-pyridinylidene)pyridine is sourced from PubChem (CID 118952300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).