2-(4-carbazol-9-ylphenyl)-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole

C31H20N2S2 — CID 167453359

IUPAC2-(4-carbazol-9-ylphenyl)-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole
SMILESc1ccc2c(c1)sc1ccc3c(c12)SC(c1ccc(-n2c4ccccc4c4ccccc42)cc1)N3
InChIInChI=1S/C31H20N2S2/c1-4-10-25-21(7-1)22-8-2-5-11-26(22)33(25)20-15-13-19(14-16-20)31-32-24-17-18-28-29(30(24)35-31)23-9-3-6-12-27(23)34-28/h1-18,31-32H
InChIKeyAEYNLMVSVVETHX-UHFFFAOYSA-N
MW484.65 g/mol
LogP9.37
Rot. Bonds2

About 2-(4-carbazol-9-ylphenyl)-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole

2-(4-carbazol-9-ylphenyl)-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole (PubChem CID 167453359) has the molecular formula C31H20N2S2 and a molecular weight of 484.65 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole
PubChem CID167453359
Molecular FormulaC31H20N2S2
Molecular Weight484.65 g/mol
Exact Mass484.11
IUPAC Name2-(4-carbazol-9-ylphenyl)-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole
SMILESc1ccc2c(c1)sc1ccc3c(c12)SC(c1ccc(-n2c4ccccc4c4ccccc42)cc1)N3
InChIInChI=1S/C31H20N2S2/c1-4-10-25-21(7-1)22-8-2-5-11-26(22)33(25)20-15-13-19(14-16-20)31-32-24-17-18-28-29(30(24)35-31)23-9-3-6-12-27(23)34-28/h1-18,31-32H
InChIKeyAEYNLMVSVVETHX-UHFFFAOYSA-N
XLogP9.37
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.65
LogP ≤ 59.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-carbazol-9-ylphenyl)-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole with MolForge

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Related Compounds

2-[4-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 167453513
2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 167452942
14-[4-[4-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167193395
14-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 129200115
2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167453195
2-(4-benzo[b]carbazol-5-ylphenyl)-8-phenyl-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 167453324
dibenzothiophene;9-phenylcarbazole
CID 142415981
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167193191
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
14-[4-[4-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167193582
12-[4-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167192765
9-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]carbazole
CID 164966731

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole (CID 167453359) is 2-(4-carbazol-9-ylphenyl)-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole is c1ccc2c(c1)sc1ccc3c(c12)SC(c1ccc(-n2c4ccccc4c4ccccc42)cc1)N3.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole?
The InChIKey is AEYNLMVSVVETHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2S2/c1-4-10-25-21(7-1)22-8-2-5-11-26(22)33(25)20-15-13-19(14-16-20)31-32-24-17-18-28-29(30(24)35-31)23-9-3-6-12-27(23)34-28/h1-18,31-32H.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole?
2-(4-carbazol-9-ylphenyl)-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole has a molecular weight of 484.65 g/mol, XLogP of 9.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole is sourced from PubChem (CID 167453359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).