9-(8-dibenzothiophen-4-yl-6-isocyanodibenzothiophen-4-yl)carbazole

C37H20N2S2 — CID 160573868

IUPAC9-(8-dibenzothiophen-4-yl-6-isocyanodibenzothiophen-4-yl)carbazole
SMILES[C-]#[N+]c1cc(-c2cccc3c2sc2ccccc23)cc2c1sc1c(-n3c4ccccc4c4ccccc43)cccc12
InChIInChI=1S/C37H20N2S2/c1-38-30-21-22(23-13-8-14-27-26-12-4-7-19-34(26)40-35(23)27)20-29-28-15-9-18-33(37(28)41-36(29)30)39-31-16-5-2-10-24(31)25-11-3-6-17-32(25)39/h2-21H
InChIKeyWJLFYJAFXWGJLG-UHFFFAOYSA-N
MW556.72 g/mol
LogP11.74
Rot. Bonds2

About 9-(8-dibenzothiophen-4-yl-6-isocyanodibenzothiophen-4-yl)carbazole

9-(8-dibenzothiophen-4-yl-6-isocyanodibenzothiophen-4-yl)carbazole (PubChem CID 160573868) has the molecular formula C37H20N2S2 and a molecular weight of 556.72 g/mol. Its IUPAC name is 9-(8-dibenzothiophen-4-yl-6-isocyanodibenzothiophen-4-yl)carbazole.

Molecular Properties

Compound Name9-(8-dibenzothiophen-4-yl-6-isocyanodibenzothiophen-4-yl)carbazole
PubChem CID160573868
Molecular FormulaC37H20N2S2
Molecular Weight556.72 g/mol
Exact Mass556.11
IUPAC Name9-(8-dibenzothiophen-4-yl-6-isocyanodibenzothiophen-4-yl)carbazole
SMILES[C-]#[N+]c1cc(-c2cccc3c2sc2ccccc23)cc2c1sc1c(-n3c4ccccc4c4ccccc43)cccc12
InChIInChI=1S/C37H20N2S2/c1-38-30-21-22(23-13-8-14-27-26-12-4-7-19-34(26)40-35(23)27)20-29-28-15-9-18-33(37(28)41-36(29)30)39-31-16-5-2-10-24(31)25-11-3-6-17-32(25)39/h2-21H
InChIKeyWJLFYJAFXWGJLG-UHFFFAOYSA-N
XLogP11.74
TPSA9.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.72
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

9-(8-dibenzothiophen-1-yl-6-isocyanodibenzothiophen-4-yl)-3,6-dimethylcarbazole
CID 160931924
9-(8-dibenzothiophen-1-yl-6-isocyanodibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 158000843
9-(8-dibenzothiophen-3-yl-6-isocyanodibenzothiophen-4-yl)-3,6-dimethylcarbazole
CID 160931926
9-[2,3-di(carbazol-9-yl)-5-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 163960448
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)carbazole
CID 162055088
9-[2-(3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3-isocyanophenyl]-3-isocyanocarbazole
CID 153462816
2-dibenzothiophen-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzothiophene-4-carbonitrile
CID 148734758
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112
9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)carbazole
CID 161065016
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
9-dibenzothiophen-4-yl-3-methylcarbazole
CID 90224671
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554

Frequently Asked Questions

What is the IUPAC name of 9-(8-dibenzothiophen-4-yl-6-isocyanodibenzothiophen-4-yl)carbazole?
The IUPAC name of 9-(8-dibenzothiophen-4-yl-6-isocyanodibenzothiophen-4-yl)carbazole (CID 160573868) is 9-(8-dibenzothiophen-4-yl-6-isocyanodibenzothiophen-4-yl)carbazole.
What is the SMILES notation for 9-(8-dibenzothiophen-4-yl-6-isocyanodibenzothiophen-4-yl)carbazole?
The canonical SMILES for 9-(8-dibenzothiophen-4-yl-6-isocyanodibenzothiophen-4-yl)carbazole is [C-]#[N+]c1cc(-c2cccc3c2sc2ccccc23)cc2c1sc1c(-n3c4ccccc4c4ccccc43)cccc12.
What is the InChIKey of 9-(8-dibenzothiophen-4-yl-6-isocyanodibenzothiophen-4-yl)carbazole?
The InChIKey is WJLFYJAFXWGJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20N2S2/c1-38-30-21-22(23-13-8-14-27-26-12-4-7-19-34(26)40-35(23)27)20-29-28-15-9-18-33(37(28)41-36(29)30)39-31-16-5-2-10-24(31)25-11-3-6-17-32(25)39/h2-21H.
What are the key properties of 9-(8-dibenzothiophen-4-yl-6-isocyanodibenzothiophen-4-yl)carbazole?
9-(8-dibenzothiophen-4-yl-6-isocyanodibenzothiophen-4-yl)carbazole has a molecular weight of 556.72 g/mol, XLogP of 11.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-dibenzothiophen-4-yl-6-isocyanodibenzothiophen-4-yl)carbazole is sourced from PubChem (CID 160573868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).