3-methoxy-6-methyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole

C26H20F3NOS — CID 135209421

IUPAC3-methoxy-6-methyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole
SMILESCOc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C)cc(C(F)(F)F)cc1-c1cccs1
InChIInChI=1S/C26H20F3NOS/c1-15-6-8-22-19(11-15)20-14-18(31-3)7-9-23(20)30(22)25-16(2)12-17(26(27,28)29)13-21(25)24-5-4-10-32-24/h4-14H,1-3H3
InChIKeySXSFXMCFWRZWGS-UHFFFAOYSA-N
MW451.51 g/mol
LogP8.16
Rot. Bonds3

About 3-methoxy-6-methyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole

3-methoxy-6-methyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole (PubChem CID 135209421) has the molecular formula C26H20F3NOS and a molecular weight of 451.51 g/mol. Its IUPAC name is 3-methoxy-6-methyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name3-methoxy-6-methyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole
PubChem CID135209421
Molecular FormulaC26H20F3NOS
Molecular Weight451.51 g/mol
Exact Mass451.12
IUPAC Name3-methoxy-6-methyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole
SMILESCOc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C)cc(C(F)(F)F)cc1-c1cccs1
InChIInChI=1S/C26H20F3NOS/c1-15-6-8-22-19(11-15)20-14-18(31-3)7-9-23(20)30(22)25-16(2)12-17(26(27,28)29)13-21(25)24-5-4-10-32-24/h4-14H,1-3H3
InChIKeySXSFXMCFWRZWGS-UHFFFAOYSA-N
XLogP8.16
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.51
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 3-methoxy-6-methyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole (CID 135209421) is 3-methoxy-6-methyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 3-methoxy-6-methyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 3-methoxy-6-methyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole is COc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C)cc(C(F)(F)F)cc1-c1cccs1.
What is the InChIKey of 3-methoxy-6-methyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole?
The InChIKey is SXSFXMCFWRZWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3NOS/c1-15-6-8-22-19(11-15)20-14-18(31-3)7-9-23(20)30(22)25-16(2)12-17(26(27,28)29)13-21(25)24-5-4-10-32-24/h4-14H,1-3H3.
What are the key properties of 3-methoxy-6-methyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole?
3-methoxy-6-methyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole has a molecular weight of 451.51 g/mol, XLogP of 8.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 135209421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).