6-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole

C23H21NS — CID 169027921

IUPAC6-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole
SMILESCn1c2ccccc2c2c3sc4ccccc4c3cc(C(C)(C)C)c21
InChIInChI=1S/C23H21NS/c1-23(2,3)17-13-16-14-9-6-8-12-19(14)25-22(16)20-15-10-5-7-11-18(15)24(4)21(17)20/h5-13H,1-4H3
InChIKeyZRTWVTOVKWWBST-UHFFFAOYSA-N
MW343.50 g/mol
LogP7.00
Rot. Bonds

About 6-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole

6-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 169027921) has the molecular formula C23H21NS and a molecular weight of 343.50 g/mol. Its IUPAC name is 6-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name6-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole
PubChem CID169027921
Molecular FormulaC23H21NS
Molecular Weight343.50 g/mol
Exact Mass343.14
IUPAC Name6-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole
SMILESCn1c2ccccc2c2c3sc4ccccc4c3cc(C(C)(C)C)c21
InChIInChI=1S/C23H21NS/c1-23(2,3)17-13-16-14-9-6-8-12-19(14)25-22(16)20-15-10-5-7-11-18(15)24(4)21(17)20/h5-13H,1-4H3
InChIKeyZRTWVTOVKWWBST-UHFFFAOYSA-N
XLogP7.00
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.50
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-tert-butyl-12-methyl-[1]benzothiolo[3,2-a]carbazole
CID 169027653
3-tert-butyl-12-methyl-[1]benzothiolo[2,3-a]carbazole
CID 169027748
3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole
CID 169027694
14-methyl-12-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 176615448
3,25-dideuterio-8,30-bis(3,5-ditert-butylphenyl)-14,36-dithia-5,27-diazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.015,20.028,33.034,45.035,43.037,42.023,46]hexatetraconta-1(45),2,4(24),6(11),7,9,12,15,17,19,21,23(46),25,28(33),29,31,34,37,39,41,43-henicosaene
CID 169289661
9-(3-tert-butylcarbazol-9-yl)-31-(3,6-ditert-butylcarbazol-9-yl)-14,36-dithia-5,27-diazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.015,20.028,33.034,45.035,43.037,42.023,46]hexatetraconta-1(45),2(26),3,6(11),7,9,12,15,17,19,21,23(46),24,28(33),29,31,34,37,39,41,43-henicosaene
CID 169289746
15-methyl-12,18-dithia-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 134472332
36-thia-8,21-diazadecacyclo[19.16.2.02,7.08,38.09,14.015,20.022,27.028,39.029,37.030,35]nonatriaconta-1(37),2,4,6,9,11,13,15,17,19,22,24,26,28,30,32,34,38-octadecaene
CID 118634505
5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 167224268
10-methyl-2-(10-methyl-[1]benzothiolo[3,2-b]indol-2-yl)-[1]benzothiolo[3,2-b]indole
CID 118530651
5-[4-[4-(3-tert-butylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 167193144
3,4-ditert-butyl-9-methylcarbazole
CID 155346853

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 6-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole (CID 169027921) is 6-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 6-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 6-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole is Cn1c2ccccc2c2c3sc4ccccc4c3cc(C(C)(C)C)c21.
What is the InChIKey of 6-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is ZRTWVTOVKWWBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NS/c1-23(2,3)17-13-16-14-9-6-8-12-19(14)25-22(16)20-15-10-5-7-11-18(15)24(4)21(17)20/h5-13H,1-4H3.
What are the key properties of 6-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole?
6-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 343.50 g/mol, XLogP of 7.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 169027921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).