1-methyl-2,3-bis[4-(trifluoromethyl)phenyl]indole

C23H15F6N — CID 102479988

IUPAC1-methyl-2,3-bis[4-(trifluoromethyl)phenyl]indole
SMILESCn1c(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C23H15F6N/c1-30-19-5-3-2-4-18(19)20(14-6-10-16(11-7-14)22(24,25)26)21(30)15-8-12-17(13-9-15)23(27,28)29/h2-13H,1H3
InChIKeyRHHLZTVYCHELPX-UHFFFAOYSA-N
MW419.37 g/mol
LogP7.55
Rot. Bonds2

About 1-methyl-2,3-bis[4-(trifluoromethyl)phenyl]indole

1-methyl-2,3-bis[4-(trifluoromethyl)phenyl]indole (PubChem CID 102479988) has the molecular formula C23H15F6N and a molecular weight of 419.37 g/mol. Its IUPAC name is 1-methyl-2,3-bis[4-(trifluoromethyl)phenyl]indole.

Molecular Properties

Compound Name1-methyl-2,3-bis[4-(trifluoromethyl)phenyl]indole
PubChem CID102479988
Molecular FormulaC23H15F6N
Molecular Weight419.37 g/mol
Exact Mass419.11
IUPAC Name1-methyl-2,3-bis[4-(trifluoromethyl)phenyl]indole
SMILESCn1c(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C23H15F6N/c1-30-19-5-3-2-4-18(19)20(14-6-10-16(11-7-14)22(24,25)26)21(30)15-8-12-17(13-9-15)23(27,28)29/h2-13H,1H3
InChIKeyRHHLZTVYCHELPX-UHFFFAOYSA-N
XLogP7.55
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.37
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Iprindole
CID 21722
3-Amino-9-ethylcarbazole
CID 8588
Mebhydrolin
CID 22530
Avn-101
CID 42631003
N-Vinylcarbazole
CID 15143
2,3-diphenyl-1H-indole
CID 77020
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
CID 4722579
1-Methyl-2-phenylindole
CID 77095
9H-Carbazole-9-methanol
CID 75480
N-ethyl carbazole
CID 6836
9H-Carbazol-3-amine, 9-ethyl-, hydrochloride (1:1)
CID 62130
2-Trifluoromethyl-9H-Carbazole
CID 12169809

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-bis[4-(trifluoromethyl)phenyl]indole?
The IUPAC name of 1-methyl-2,3-bis[4-(trifluoromethyl)phenyl]indole (CID 102479988) is 1-methyl-2,3-bis[4-(trifluoromethyl)phenyl]indole.
What is the SMILES notation for 1-methyl-2,3-bis[4-(trifluoromethyl)phenyl]indole?
The canonical SMILES for 1-methyl-2,3-bis[4-(trifluoromethyl)phenyl]indole is Cn1c(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of 1-methyl-2,3-bis[4-(trifluoromethyl)phenyl]indole?
The InChIKey is RHHLZTVYCHELPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6N/c1-30-19-5-3-2-4-18(19)20(14-6-10-16(11-7-14)22(24,25)26)21(30)15-8-12-17(13-9-15)23(27,28)29/h2-13H,1H3.
What are the key properties of 1-methyl-2,3-bis[4-(trifluoromethyl)phenyl]indole?
1-methyl-2,3-bis[4-(trifluoromethyl)phenyl]indole has a molecular weight of 419.37 g/mol, XLogP of 7.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-bis[4-(trifluoromethyl)phenyl]indole is sourced from PubChem (CID 102479988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).