7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole

C21H21N — CID 122678080

IUPAC7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole
SMILESC/C=C\c1c(/C=C/C)c2cccc(C)c2n1-c1ccccc1
InChIInChI=1S/C21H21N/c1-4-10-18-19-15-9-12-16(3)21(19)22(20(18)11-5-2)17-13-7-6-8-14-17/h4-15H,1-3H3/b10-4+,11-5-
InChIKeyDNKBGOJEODXTKP-CYQDLDFOSA-N
MW287.41 g/mol
LogP6.01
Rot. Bonds3

About 7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole

7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole (PubChem CID 122678080) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole.

Molecular Properties

Compound Name7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole
PubChem CID122678080
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole
SMILESC/C=C\c1c(/C=C/C)c2cccc(C)c2n1-c1ccccc1
InChIInChI=1S/C21H21N/c1-4-10-18-19-15-9-12-16(3)21(19)22(20(18)11-5-2)17-13-7-6-8-14-17/h4-15H,1-3H3/b10-4+,11-5-
InChIKeyDNKBGOJEODXTKP-CYQDLDFOSA-N
XLogP6.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indole
CID 144884334
2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 138736833
2,4-dimethyl-1-phenyl-3-prop-1-enylindole
CID 123318372
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
21-ethenyl-4,22-diphenyl-20-[(Z)-prop-1-enyl]-4,15,22-triazaoctacyclo[13.13.1.02,14.03,11.05,10.016,24.019,23.025,29]nonacosa-1(29),2(14),3(11),5,7,9,12,16(24),17,19(23),20,25,27-tridecaene
CID 166881227
9-[4-[(E)-prop-1-enyl]phenyl]carbazole
CID 58370912
13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene
CID 144536744
[2,3-bis[(Z)-prop-1-enyl]indol-1-yl]phosphane
CID 154964307
N-[1,7-dimethyl-3-[(Z)-prop-1-enyl]indol-2-yl]methanimine
CID 163294308
(Z)-but-2-ene;ethane;1-methyl-9-(3-phenylphenyl)carbazole
CID 144884443
6-methyl-2-(2-methylprop-1-enyl)-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 138599042
2-(4-methylphenyl)-1,3,4-triphenyl-5-[4-[(E)-prop-1-enyl]phenyl]pyrrole
CID 166512404

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole?
The IUPAC name of 7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole (CID 122678080) is 7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole.
What is the SMILES notation for 7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole?
The canonical SMILES for 7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole is C/C=C\c1c(/C=C/C)c2cccc(C)c2n1-c1ccccc1.
What is the InChIKey of 7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole?
The InChIKey is DNKBGOJEODXTKP-CYQDLDFOSA-N. The full InChI is InChI=1S/C21H21N/c1-4-10-18-19-15-9-12-16(3)21(19)22(20(18)11-5-2)17-13-7-6-8-14-17/h4-15H,1-3H3/b10-4+,11-5-.
What are the key properties of 7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole?
7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole has a molecular weight of 287.41 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole is sourced from PubChem (CID 122678080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).