7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole

C36H22N2S — CID 118503110

IUPAC7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c1
InChIInChI=1S/C36H22N2S/c1-5-16-31-25(12-1)26-13-2-6-17-32(26)37(31)23-10-9-11-24(20-23)38-33-18-7-3-14-27(33)29-21-30-28-15-4-8-19-35(28)39-36(30)22-34(29)38/h1-22H
InChIKeyKGYYLKSULQJUCP-UHFFFAOYSA-N
MW514.65 g/mol
LogP10.25
Rot. Bonds2

About 7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole

7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole (PubChem CID 118503110) has the molecular formula C36H22N2S and a molecular weight of 514.65 g/mol. Its IUPAC name is 7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
PubChem CID118503110
Molecular FormulaC36H22N2S
Molecular Weight514.65 g/mol
Exact Mass514.15
IUPAC Name7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c1
InChIInChI=1S/C36H22N2S/c1-5-16-31-25(12-1)26-13-2-6-17-32(26)37(31)23-10-9-11-24(20-23)38-33-18-7-3-14-27(33)29-21-30-28-15-4-8-19-35(28)39-36(30)22-34(29)38/h1-22H
InChIKeyKGYYLKSULQJUCP-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

7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193311
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193329
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842470
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193195
7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 142356250
7-[4-[4-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-6-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126630835
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
9-carbazol-9-yl-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 155006788
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436

Frequently Asked Questions

What is the IUPAC name of 7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole (CID 118503110) is 7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole is c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c1.
What is the InChIKey of 7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is KGYYLKSULQJUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2S/c1-5-16-31-25(12-1)26-13-2-6-17-32(26)37(31)23-10-9-11-24(20-23)38-33-18-7-3-14-27(33)29-21-30-28-15-4-8-19-35(28)39-36(30)22-34(29)38/h1-22H.
What are the key properties of 7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole?
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-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 7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 118503110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).