9-methyl-2,7-dithiophen-2-ylcarbazole

C21H15NS2 — CID 102153776

IUPAC9-methyl-2,7-dithiophen-2-ylcarbazole
SMILESCn1c2cc(-c3cccs3)ccc2c2ccc(-c3cccs3)cc21
InChIInChI=1S/C21H15NS2/c1-22-18-12-14(20-4-2-10-23-20)6-8-16(18)17-9-7-15(13-19(17)22)21-5-3-11-24-21/h2-13H,1H3
InChIKeyZMCXIDWYMQLYQB-UHFFFAOYSA-N
MW345.49 g/mol
LogP6.79
Rot. Bonds2

About 9-methyl-2,7-dithiophen-2-ylcarbazole

9-methyl-2,7-dithiophen-2-ylcarbazole (PubChem CID 102153776) has the molecular formula C21H15NS2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 9-methyl-2,7-dithiophen-2-ylcarbazole.

Molecular Properties

Compound Name9-methyl-2,7-dithiophen-2-ylcarbazole
PubChem CID102153776
Molecular FormulaC21H15NS2
Molecular Weight345.49 g/mol
Exact Mass345.06
IUPAC Name9-methyl-2,7-dithiophen-2-ylcarbazole
SMILESCn1c2cc(-c3cccs3)ccc2c2ccc(-c3cccs3)cc21
InChIInChI=1S/C21H15NS2/c1-22-18-12-14(20-4-2-10-23-20)6-8-16(18)17-9-7-15(13-19(17)22)21-5-3-11-24-21/h2-13H,1H3
InChIKeyZMCXIDWYMQLYQB-UHFFFAOYSA-N
XLogP6.79
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-10-methyl-6-thiophen-2-ylacridin-9-one
CID 139804633
2-(20-thiophen-2-yl-7-hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaenyl)thiophene
CID 58411506
1-(2,2-dimethylpropyl)-3-methyl-5-thiophen-2-ylbenzimidazol-2-one
CID 56655584
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
ethane;2-methyl-4-thiophen-2-ylaniline
CID 143928116
9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450
2-fluoro-1-methyl-4-thiophen-2-ylpyrrole
CID 175124499
2-[3-(4-tert-butylphenyl)phenyl]thiophene
CID 174720161
ethane;2-(3-methylphenyl)thiophene
CID 143181554
9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole
CID 59403674
10-methyl-3-(1,3-thiazol-2-yl)acridin-9-one
CID 139804736

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2,7-dithiophen-2-ylcarbazole?
The IUPAC name of 9-methyl-2,7-dithiophen-2-ylcarbazole (CID 102153776) is 9-methyl-2,7-dithiophen-2-ylcarbazole.
What is the SMILES notation for 9-methyl-2,7-dithiophen-2-ylcarbazole?
The canonical SMILES for 9-methyl-2,7-dithiophen-2-ylcarbazole is Cn1c2cc(-c3cccs3)ccc2c2ccc(-c3cccs3)cc21.
What is the InChIKey of 9-methyl-2,7-dithiophen-2-ylcarbazole?
The InChIKey is ZMCXIDWYMQLYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NS2/c1-22-18-12-14(20-4-2-10-23-20)6-8-16(18)17-9-7-15(13-19(17)22)21-5-3-11-24-21/h2-13H,1H3.
What are the key properties of 9-methyl-2,7-dithiophen-2-ylcarbazole?
9-methyl-2,7-dithiophen-2-ylcarbazole has a molecular weight of 345.49 g/mol, XLogP of 6.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,7-dithiophen-2-ylcarbazole is sourced from PubChem (CID 102153776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).