2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole

C35H22N2S2 — CID 167452842

IUPAC2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole
SMILESc1ccc2c(c1)sc1ccc3c(c12)NC(c1ccc(-n2c4ccccc4c4ccccc42)c2ccccc12)S3
InChIInChI=1S/C35H22N2S2/c1-2-10-22-21(9-1)25(17-18-29(22)37-27-14-6-3-11-23(27)24-12-4-7-15-28(24)37)35-36-34-32(39-35)20-19-31-33(34)26-13-5-8-16-30(26)38-31/h1-20,35-36H
InChIKeyKOUAASACNZQFPG-UHFFFAOYSA-N
MW534.71 g/mol
LogP10.52
Rot. Bonds2

About 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole

2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole (PubChem CID 167452842) has the molecular formula C35H22N2S2 and a molecular weight of 534.71 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole
PubChem CID167452842
Molecular FormulaC35H22N2S2
Molecular Weight534.71 g/mol
Exact Mass534.12
IUPAC Name2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole
SMILESc1ccc2c(c1)sc1ccc3c(c12)NC(c1ccc(-n2c4ccccc4c4ccccc42)c2ccccc12)S3
InChIInChI=1S/C35H22N2S2/c1-2-10-22-21(9-1)25(17-18-29(22)37-27-14-6-3-11-23(27)24-12-4-7-15-28(24)37)35-36-34-32(39-35)20-19-31-33(34)26-13-5-8-16-30(26)38-31/h1-20,35-36H
InChIKeyKOUAASACNZQFPG-UHFFFAOYSA-N
XLogP10.52
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.71
LogP ≤ 510.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole with MolForge

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Related Compounds

2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 167452942
2-(4-benzo[b]carbazol-5-ylphenyl)-8-phenyl-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 167453324
12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167193517
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
2-(4-carbazol-9-ylphenyl)-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 167453359
9-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15(23),16,18,20-undecaen-18-yl)carbazole;9-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)carbazole;9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole
CID 160779352
3-carbazol-9-yl-9-[9-(8-carbazol-9-yldibenzothiophen-1-yl)carbazol-3-yl]carbazole
CID 176831748
9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole
CID 146594533
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenanthren-1-ylcarbazole
CID 163630750
3-carbazol-9-yl-4-dibenzothiophen-1-ylaniline
CID 139566104
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole?
The IUPAC name of 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole (CID 167452842) is 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole.
What is the SMILES notation for 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole?
The canonical SMILES for 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole is c1ccc2c(c1)sc1ccc3c(c12)NC(c1ccc(-n2c4ccccc4c4ccccc42)c2ccccc12)S3.
What is the InChIKey of 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole?
The InChIKey is KOUAASACNZQFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2S2/c1-2-10-22-21(9-1)25(17-18-29(22)37-27-14-6-3-11-23(27)24-12-4-7-15-28(24)37)35-36-34-32(39-35)20-19-31-33(34)26-13-5-8-16-30(26)38-31/h1-20,35-36H.
What are the key properties of 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole?
2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole has a molecular weight of 534.71 g/mol, XLogP of 10.52, 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-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole is sourced from PubChem (CID 167452842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).