12-(9-bromodibenzothiophen-2-yl)-11-phenylindolo[2,3-a]carbazole

C36H21BrN2S — CID 148600416

IUPAC12-(9-bromodibenzothiophen-2-yl)-11-phenylindolo[2,3-a]carbazole
SMILESBrc1cccc2sc3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3c12
InChIInChI=1S/C36H21BrN2S/c37-29-13-8-16-33-34(29)28-21-23(17-20-32(28)40-33)39-31-15-7-5-12-25(31)27-19-18-26-24-11-4-6-14-30(24)38(35(26)36(27)39)22-9-2-1-3-10-22/h1-21H
InChIKeyNCKANGOCOCMBOG-UHFFFAOYSA-N
MW593.55 g/mol
LogP11.01
Rot. Bonds2

About 12-(9-bromodibenzothiophen-2-yl)-11-phenylindolo[2,3-a]carbazole

12-(9-bromodibenzothiophen-2-yl)-11-phenylindolo[2,3-a]carbazole (PubChem CID 148600416) has the molecular formula C36H21BrN2S and a molecular weight of 593.55 g/mol. Its IUPAC name is 12-(9-bromodibenzothiophen-2-yl)-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(9-bromodibenzothiophen-2-yl)-11-phenylindolo[2,3-a]carbazole
PubChem CID148600416
Molecular FormulaC36H21BrN2S
Molecular Weight593.55 g/mol
Exact Mass592.06
IUPAC Name12-(9-bromodibenzothiophen-2-yl)-11-phenylindolo[2,3-a]carbazole
SMILESBrc1cccc2sc3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3c12
InChIInChI=1S/C36H21BrN2S/c37-29-13-8-16-33-34(29)28-21-23(17-20-32(28)40-33)39-31-15-7-5-12-25(31)27-19-18-26-24-11-4-6-14-30(24)38(35(26)36(27)39)22-9-2-1-3-10-22/h1-21H
InChIKeyNCKANGOCOCMBOG-UHFFFAOYSA-N
XLogP11.01
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.55
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
CID 170394006
12-phenyl-15-(4-phenylphenyl)-24-thia-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 144705068
3-(9-bromodibenzothiophen-2-yl)-9-phenanthren-3-ylcarbazole
CID 129126411
12-[4-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167192765
12-[3-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167192716
1-dibenzothiophen-1-yl-9-phenylcarbazole
CID 137466628
12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 118503100
12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole
CID 158708574
12-dibenzothiophen-2-yl-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598840
12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 171414705
24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene
CID 177086967
11-dibenzothiophen-2-yl-12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 121385334

Frequently Asked Questions

What is the IUPAC name of 12-(9-bromodibenzothiophen-2-yl)-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(9-bromodibenzothiophen-2-yl)-11-phenylindolo[2,3-a]carbazole (CID 148600416) is 12-(9-bromodibenzothiophen-2-yl)-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(9-bromodibenzothiophen-2-yl)-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(9-bromodibenzothiophen-2-yl)-11-phenylindolo[2,3-a]carbazole is Brc1cccc2sc3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3c12.
What is the InChIKey of 12-(9-bromodibenzothiophen-2-yl)-11-phenylindolo[2,3-a]carbazole?
The InChIKey is NCKANGOCOCMBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21BrN2S/c37-29-13-8-16-33-34(29)28-21-23(17-20-32(28)40-33)39-31-15-7-5-12-25(31)27-19-18-26-24-11-4-6-14-30(24)38(35(26)36(27)39)22-9-2-1-3-10-22/h1-21H.
What are the key properties of 12-(9-bromodibenzothiophen-2-yl)-11-phenylindolo[2,3-a]carbazole?
12-(9-bromodibenzothiophen-2-yl)-11-phenylindolo[2,3-a]carbazole has a molecular weight of 593.55 g/mol, XLogP of 11.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(9-bromodibenzothiophen-2-yl)-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 148600416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).