2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole

C42H26N2S — CID 166009400

IUPAC2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5cc(-c6ccc7sc8ccccc8c7c6)ccc5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C42H26N2S/c1-3-11-29(12-4-1)43-37-17-9-7-15-31(37)34-25-35-33-23-27(28-20-22-42-36(24-28)32-16-8-10-18-41(32)45-42)19-21-38(33)44(40(35)26-39(34)43)30-13-5-2-6-14-30/h1-26H
InChIKeyPOIXCXYLCPXNBI-UHFFFAOYSA-N
MW590.75 g/mol
LogP11.92
Rot. Bonds3

About 2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole

2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole (PubChem CID 166009400) has the molecular formula C42H26N2S and a molecular weight of 590.75 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
PubChem CID166009400
Molecular FormulaC42H26N2S
Molecular Weight590.75 g/mol
Exact Mass590.18
IUPAC Name2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5cc(-c6ccc7sc8ccccc8c7c6)ccc5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C42H26N2S/c1-3-11-29(12-4-1)43-37-17-9-7-15-31(37)34-25-35-33-23-27(28-20-22-42-36(24-28)32-16-8-10-18-41(32)45-42)19-21-38(33)44(40(35)26-39(34)43)30-13-5-2-6-14-30/h1-26H
InChIKeyPOIXCXYLCPXNBI-UHFFFAOYSA-N
XLogP11.92
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.75
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
3-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009509
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009558
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324812
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
CID 134223431
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole
CID 163575771
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole?
The IUPAC name of 2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole (CID 166009400) is 2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole.
What is the SMILES notation for 2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole?
The canonical SMILES for 2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c5cc(-c6ccc7sc8ccccc8c7c6)ccc5n(-c5ccccc5)c4cc32)cc1.
What is the InChIKey of 2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole?
The InChIKey is POIXCXYLCPXNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2S/c1-3-11-29(12-4-1)43-37-17-9-7-15-31(37)34-25-35-33-23-27(28-20-22-42-36(24-28)32-16-8-10-18-41(32)45-42)19-21-38(33)44(40(35)26-39(34)43)30-13-5-2-6-14-30/h1-26H.
What are the key properties of 2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole?
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole has a molecular weight of 590.75 g/mol, XLogP of 11.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole is sourced from PubChem (CID 166009400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).