10-methyl-11-(2-methylphenyl)-5H-[1]benzothiolo[3,2-c]carbazole

C26H19NS — CID 167296024

IUPAC10-methyl-11-(2-methylphenyl)-5H-[1]benzothiolo[3,2-c]carbazole
SMILESCc1ccccc1-c1c(C)ccc2c1sc1c2ccc2[nH]c3ccccc3c21
InChIInChI=1S/C26H19NS/c1-15-7-3-4-8-17(15)23-16(2)11-12-18-19-13-14-22-24(26(19)28-25(18)23)20-9-5-6-10-21(20)27-22/h3-14,27H,1-2H3
InChIKeyQDUXNOPVDQMBJS-UHFFFAOYSA-N
MW377.51 g/mol
LogP7.97
Rot. Bonds1

About 10-methyl-11-(2-methylphenyl)-5H-[1]benzothiolo[3,2-c]carbazole

10-methyl-11-(2-methylphenyl)-5H-[1]benzothiolo[3,2-c]carbazole (PubChem CID 167296024) has the molecular formula C26H19NS and a molecular weight of 377.51 g/mol. Its IUPAC name is 10-methyl-11-(2-methylphenyl)-5H-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name10-methyl-11-(2-methylphenyl)-5H-[1]benzothiolo[3,2-c]carbazole
PubChem CID167296024
Molecular FormulaC26H19NS
Molecular Weight377.51 g/mol
Exact Mass377.12
IUPAC Name10-methyl-11-(2-methylphenyl)-5H-[1]benzothiolo[3,2-c]carbazole
SMILESCc1ccccc1-c1c(C)ccc2c1sc1c2ccc2[nH]c3ccccc3c21
InChIInChI=1S/C26H19NS/c1-15-7-3-4-8-17(15)23-16(2)11-12-18-19-13-14-22-24(26(19)28-25(18)23)20-9-5-6-10-21(20)27-22/h3-14,27H,1-2H3
InChIKeyQDUXNOPVDQMBJS-UHFFFAOYSA-N
XLogP7.97
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11116991
4-methoxy-3-methyl-9H-carbazole
CID 169091963
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CID 11448489
[3-methyl-2-(2-methylphenyl)-1H-indol-5-yl]methanamine
CID 156814165
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole
CID 71234830
3-methyl-4-(2-methylphenyl)phenanthrene
CID 145272616
ethane;4-phenyl-9H-carbazole
CID 168948755
9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
CID 145125960
2-methyl-4-(2-methylphenyl)-9H-pyrido[2,3-b]indole
CID 135060330
2,5-dimethyl-10H-thieno[2,3-a]carbazole
CID 86045135
[2-(2-methylphenyl)-1H-indol-3-yl]methanamine
CID 22689271

Frequently Asked Questions

What is the IUPAC name of 10-methyl-11-(2-methylphenyl)-5H-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 10-methyl-11-(2-methylphenyl)-5H-[1]benzothiolo[3,2-c]carbazole (CID 167296024) is 10-methyl-11-(2-methylphenyl)-5H-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 10-methyl-11-(2-methylphenyl)-5H-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 10-methyl-11-(2-methylphenyl)-5H-[1]benzothiolo[3,2-c]carbazole is Cc1ccccc1-c1c(C)ccc2c1sc1c2ccc2[nH]c3ccccc3c21.
What is the InChIKey of 10-methyl-11-(2-methylphenyl)-5H-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is QDUXNOPVDQMBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NS/c1-15-7-3-4-8-17(15)23-16(2)11-12-18-19-13-14-22-24(26(19)28-25(18)23)20-9-5-6-10-21(20)27-22/h3-14,27H,1-2H3.
What are the key properties of 10-methyl-11-(2-methylphenyl)-5H-[1]benzothiolo[3,2-c]carbazole?
10-methyl-11-(2-methylphenyl)-5H-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 377.51 g/mol, XLogP of 7.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-11-(2-methylphenyl)-5H-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 167296024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).