10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole

C36H21NS2 — CID 166009558

IUPAC10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5sc6ccccc6c5c4)cc3c3cc4c(cc32)sc2ccccc24)cc1
InChIInChI=1S/C36H21NS2/c1-2-8-24(9-3-1)37-31-16-14-22(23-15-17-35-29(19-23)25-10-4-6-12-33(25)38-35)18-27(31)28-20-30-26-11-5-7-13-34(26)39-36(30)21-32(28)37/h1-21H
InChIKeyATUVLZIEVBKFBF-UHFFFAOYSA-N
MW531.71 g/mol
LogP11.19
Rot. Bonds2

About 10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole

10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole (PubChem CID 166009558) has the molecular formula C36H21NS2 and a molecular weight of 531.71 g/mol. Its IUPAC name is 10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
PubChem CID166009558
Molecular FormulaC36H21NS2
Molecular Weight531.71 g/mol
Exact Mass531.11
IUPAC Name10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5sc6ccccc6c5c4)cc3c3cc4c(cc32)sc2ccccc24)cc1
InChIInChI=1S/C36H21NS2/c1-2-8-24(9-3-1)37-31-16-14-22(23-15-17-35-29(19-23)25-10-4-6-12-33(25)38-35)18-27(31)28-20-30-26-11-5-7-13-34(26)39-36(30)21-32(28)37/h1-21H
InChIKeyATUVLZIEVBKFBF-UHFFFAOYSA-N
XLogP11.19
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.71
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
CID 134223431
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009509
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
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-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009360
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332

Frequently Asked Questions

What is the IUPAC name of 10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole (CID 166009558) is 10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole is c1ccc(-n2c3ccc(-c4ccc5sc6ccccc6c5c4)cc3c3cc4c(cc32)sc2ccccc24)cc1.
What is the InChIKey of 10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is ATUVLZIEVBKFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NS2/c1-2-8-24(9-3-1)37-31-16-14-22(23-15-17-35-29(19-23)25-10-4-6-12-33(25)38-35)18-27(31)28-20-30-26-11-5-7-13-34(26)39-36(30)21-32(28)37/h1-21H.
What are the key properties of 10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 531.71 g/mol, XLogP of 11.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 166009558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).