7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole

C21H10Cl2N4S — CID 177252934

IUPAC7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESClc1nc(Cl)nc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)n1
InChIInChI=1S/C21H10Cl2N4S/c22-19-24-20(23)26-21(25-19)27-15-7-3-1-5-11(15)13-9-14-12-6-2-4-8-17(12)28-18(14)10-16(13)27/h1-10H
InChIKeyYJBWRZRQRKSEMT-UHFFFAOYSA-N
MW421.31 g/mol
LogP6.64
Rot. Bonds1

About 7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole

7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole (PubChem CID 177252934) has the molecular formula C21H10Cl2N4S and a molecular weight of 421.31 g/mol. Its IUPAC name is 7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole
PubChem CID177252934
Molecular FormulaC21H10Cl2N4S
Molecular Weight421.31 g/mol
Exact Mass420.00
IUPAC Name7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESClc1nc(Cl)nc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)n1
InChIInChI=1S/C21H10Cl2N4S/c22-19-24-20(23)26-21(25-19)27-15-7-3-1-5-11(15)13-9-14-12-6-2-4-8-17(12)28-18(14)10-16(13)27/h1-10H
InChIKeyYJBWRZRQRKSEMT-UHFFFAOYSA-N
XLogP6.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.31
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 129254561
7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-b]carbazole
CID 166563520
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 67472142
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126652548
10-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-b]carbazole
CID 171730090
7-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzothiolo[2,3-b]carbazole
CID 129297671
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 134224667
2-chloro-4,6-diphenyl-1,3,5-triazine;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 158662230
19-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,15-dithia-19-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
CID 118301202
7-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 129224970

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole (CID 177252934) is 7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole is Clc1nc(Cl)nc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)n1.
What is the InChIKey of 7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is YJBWRZRQRKSEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10Cl2N4S/c22-19-24-20(23)26-21(25-19)27-15-7-3-1-5-11(15)13-9-14-12-6-2-4-8-17(12)28-18(14)10-16(13)27/h1-10H.
What are the key properties of 7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole?
7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 421.31 g/mol, XLogP of 6.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 177252934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).