1,3-bis(cyclohexylmethyl)-5-[3-(trifluoromethoxy)phenyl]indole

C29H34F3NO — CID 142579362

IUPAC1,3-bis(cyclohexylmethyl)-5-[3-(trifluoromethoxy)phenyl]indole
SMILESFC(F)(F)Oc1cccc(-c2ccc3c(c2)c(CC2CCCCC2)cn3CC2CCCCC2)c1
InChIInChI=1S/C29H34F3NO/c30-29(31,32)34-26-13-7-12-23(17-26)24-14-15-28-27(18-24)25(16-21-8-3-1-4-9-21)20-33(28)19-22-10-5-2-6-11-22/h7,12-15,17-18,20-22H,1-6,8-11,16,19H2
InChIKeyOFEGZQCALWADPH-UHFFFAOYSA-N
MW469.59 g/mol
LogP8.91
Rot. Bonds6

About 1,3-bis(cyclohexylmethyl)-5-[3-(trifluoromethoxy)phenyl]indole

1,3-bis(cyclohexylmethyl)-5-[3-(trifluoromethoxy)phenyl]indole (PubChem CID 142579362) has the molecular formula C29H34F3NO and a molecular weight of 469.59 g/mol. Its IUPAC name is 1,3-bis(cyclohexylmethyl)-5-[3-(trifluoromethoxy)phenyl]indole.

Molecular Properties

Compound Name1,3-bis(cyclohexylmethyl)-5-[3-(trifluoromethoxy)phenyl]indole
PubChem CID142579362
Molecular FormulaC29H34F3NO
Molecular Weight469.59 g/mol
Exact Mass469.26
IUPAC Name1,3-bis(cyclohexylmethyl)-5-[3-(trifluoromethoxy)phenyl]indole
SMILESFC(F)(F)Oc1cccc(-c2ccc3c(c2)c(CC2CCCCC2)cn3CC2CCCCC2)c1
InChIInChI=1S/C29H34F3NO/c30-29(31,32)34-26-13-7-12-23(17-26)24-14-15-28-27(18-24)25(16-21-8-3-1-4-9-21)20-33(28)19-22-10-5-2-6-11-22/h7,12-15,17-18,20-22H,1-6,8-11,16,19H2
InChIKeyOFEGZQCALWADPH-UHFFFAOYSA-N
XLogP8.91
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[2-[1-(cyclohexylmethyl)-5-[3-(trifluoromethoxy)phenyl]indol-3-yl]ethyl]cyclohexane-1,4-diamine
CID 160659882
1,3-bis(cyclohexylmethyl)-5-(2-methylphenyl)indole
CID 142579626
2-[1-benzyl-5-[3-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid
CID 10138077
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
1-(2,2-dimethylpropyl)-3-[3-(trifluoromethoxy)phenyl]benzene
CID 122487160
2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971407
2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8804725
7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one
CID 169422666
N-cyclohexyl-N-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-1-carboxamide
CID 66682353
1-(chloromethyl)-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118811245
2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971356
2-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(trifluoromethoxy)phenyl]indol-1-yl]acetic acid
CID 10030729

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(cyclohexylmethyl)-5-[3-(trifluoromethoxy)phenyl]indole?
The IUPAC name of 1,3-bis(cyclohexylmethyl)-5-[3-(trifluoromethoxy)phenyl]indole (CID 142579362) is 1,3-bis(cyclohexylmethyl)-5-[3-(trifluoromethoxy)phenyl]indole.
What is the SMILES notation for 1,3-bis(cyclohexylmethyl)-5-[3-(trifluoromethoxy)phenyl]indole?
The canonical SMILES for 1,3-bis(cyclohexylmethyl)-5-[3-(trifluoromethoxy)phenyl]indole is FC(F)(F)Oc1cccc(-c2ccc3c(c2)c(CC2CCCCC2)cn3CC2CCCCC2)c1.
What is the InChIKey of 1,3-bis(cyclohexylmethyl)-5-[3-(trifluoromethoxy)phenyl]indole?
The InChIKey is OFEGZQCALWADPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F3NO/c30-29(31,32)34-26-13-7-12-23(17-26)24-14-15-28-27(18-24)25(16-21-8-3-1-4-9-21)20-33(28)19-22-10-5-2-6-11-22/h7,12-15,17-18,20-22H,1-6,8-11,16,19H2.
What are the key properties of 1,3-bis(cyclohexylmethyl)-5-[3-(trifluoromethoxy)phenyl]indole?
1,3-bis(cyclohexylmethyl)-5-[3-(trifluoromethoxy)phenyl]indole has a molecular weight of 469.59 g/mol, XLogP of 8.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(cyclohexylmethyl)-5-[3-(trifluoromethoxy)phenyl]indole is sourced from PubChem (CID 142579362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).