11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole

C36H22N2S — CID 118502879

IUPAC11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)c32)cc1
InChIInChI=1S/C36H22N2S/c1-2-11-23(12-3-1)37-30-17-7-4-13-24(30)27-16-10-19-32(36(27)37)38-31-18-8-5-14-25(31)28-22-35-29(21-33(28)38)26-15-6-9-20-34(26)39-35/h1-22H
InChIKeyYZDFZTUELIATFM-UHFFFAOYSA-N
MW514.65 g/mol
LogP10.25
Rot. Bonds2

About 11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole

11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole (PubChem CID 118502879) has the molecular formula C36H22N2S and a molecular weight of 514.65 g/mol. Its IUPAC name is 11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole
PubChem CID118502879
Molecular FormulaC36H22N2S
Molecular Weight514.65 g/mol
Exact Mass514.15
IUPAC Name11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)c32)cc1
InChIInChI=1S/C36H22N2S/c1-2-11-23(12-3-1)37-30-17-7-4-13-24(30)27-16-10-19-32(36(27)37)38-31-18-8-5-14-25(31)28-22-35-29(21-33(28)38)26-15-6-9-20-34(26)39-35/h1-22H
InChIKeyYZDFZTUELIATFM-UHFFFAOYSA-N
XLogP10.25
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

22-dibenzothiophen-4-yl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 122465489
1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807757
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110
5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole
CID 90225193
3,12-diphenyl-22-thia-3,12-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,14,16,18,20,23-decaen-11-one
CID 155152536
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole
CID 126517447
7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126652548
dibenzothiophene;9-phenylcarbazole
CID 142415981
11-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 167193260
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 171414679

Frequently Asked Questions

What is the IUPAC name of 11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole (CID 118502879) is 11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole is c1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)c32)cc1.
What is the InChIKey of 11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is YZDFZTUELIATFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2S/c1-2-11-23(12-3-1)37-30-17-7-4-13-24(30)27-16-10-19-32(36(27)37)38-31-18-8-5-14-25(31)28-22-35-29(21-33(28)38)26-15-6-9-20-34(26)39-35/h1-22H.
What are the key properties of 11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole?
11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 514.65 g/mol, XLogP of 10.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 118502879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).