7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole

C36H22N2S — CID 89472332

IUPAC7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)ccc32)cc1
InChIInChI=1S/C36H22N2S/c1-2-10-23(11-3-1)37-31-15-7-4-12-25(31)28-20-24(18-19-33(28)37)38-32-16-8-5-13-26(32)29-21-30-27-14-6-9-17-35(27)39-36(30)22-34(29)38/h1-22H
InChIKeyONDIPYTYSLKFCI-UHFFFAOYSA-N
MW514.65 g/mol
LogP10.25
Rot. Bonds2

About 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole

7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole (PubChem CID 89472332) has the molecular formula C36H22N2S and a molecular weight of 514.65 g/mol. Its IUPAC name is 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
PubChem CID89472332
Molecular FormulaC36H22N2S
Molecular Weight514.65 g/mol
Exact Mass514.15
IUPAC Name7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)ccc32)cc1
InChIInChI=1S/C36H22N2S/c1-2-10-23(11-3-1)37-31-15-7-4-12-25(31)28-20-24(18-19-33(28)37)38-32-16-8-5-13-26(32)29-21-30-27-14-6-9-17-35(27)39-36(30)22-34(29)38/h1-22H
InChIKeyONDIPYTYSLKFCI-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-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193329
7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
CID 134223431
7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193311
10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009558
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole
CID 161384804
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400
[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842470

Frequently Asked Questions

What is the IUPAC name of 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole (CID 89472332) is 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)ccc32)cc1.
What is the InChIKey of 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is ONDIPYTYSLKFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2S/c1-2-10-23(11-3-1)37-31-15-7-4-12-25(31)28-20-24(18-19-33(28)37)38-32-16-8-5-13-26(32)29-21-30-27-14-6-9-17-35(27)39-36(30)22-34(29)38/h1-22H.
What are the key properties of 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole?
7-(9-phenylcarbazol-3-yl)-[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-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 89472332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).