5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole

C25H17NS — CID 121339080

IUPAC5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole
SMILESCc1cccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1
InChIInChI=1S/C25H17NS/c1-16-7-6-8-17(15-16)26-21-11-4-2-10-20(21)24-22(26)14-13-19-18-9-3-5-12-23(18)27-25(19)24/h2-15H,1H3
InChIKeyWDINEWUCRLERIZ-UHFFFAOYSA-N
MW363.49 g/mol
LogP7.46
Rot. Bonds1

About 5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole

5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 121339080) has the molecular formula C25H17NS and a molecular weight of 363.49 g/mol. Its IUPAC name is 5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole
PubChem CID121339080
Molecular FormulaC25H17NS
Molecular Weight363.49 g/mol
Exact Mass363.11
IUPAC Name5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole
SMILESCc1cccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1
InChIInChI=1S/C25H17NS/c1-16-7-6-8-17(15-16)26-21-11-4-2-10-20(21)24-22(26)14-13-19-18-9-3-5-12-23(18)27-25(19)24/h2-15H,1H3
InChIKeyWDINEWUCRLERIZ-UHFFFAOYSA-N
XLogP7.46
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.49
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170393989
9-dibenzothiophen-3-yl-18-(3-methylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 126501158
5-[3-[6-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118939041
5-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 146226846
6-phenyl-24-(9-phenylcarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 118391181
5-(4-ethylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 118689653
5-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139496961
N,5-diphenyl-N-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 89448189
5-[4-[4-(3-tert-butylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 167193144
5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole
CID 118503078
9-[3-(3-carbazol-9-ylphenyl)phenyl]-20-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 139575247
9-dibenzothiophen-2-yl-18-(3-methylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-4-yl-18-(3-methylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-(4-methylphenyl)-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 157115983

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole (CID 121339080) is 5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole is Cc1cccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.
What is the InChIKey of 5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is WDINEWUCRLERIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NS/c1-16-7-6-8-17(15-16)26-21-11-4-2-10-20(21)24-22(26)14-13-19-18-9-3-5-12-23(18)27-25(19)24/h2-15H,1H3.
What are the key properties of 5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole?
5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 363.49 g/mol, XLogP of 7.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 121339080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).