1-(3,5-dimethylphenyl)indole;bis(1-methyl-2-[(Z)-prop-1-enyl]benzene)

C36H39N — CID 144815657

IUPAC1-(3,5-dimethylphenyl)indole;bis(1-methyl-2-[(Z)-prop-1-enyl]benzene)
SMILESC/C=C\c1ccccc1C.C/C=C\c1ccccc1C.Cc1cc(C)cc(-n2ccc3ccccc32)c1
InChIInChI=1S/C16H15N.2C10H12/c1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)17;2*1-3-6-10-8-5-4-7-9(10)2/h3-11H,1-2H3;2*3-8H,1-2H3/b;2*6-3-
InChIKeyUJLDMCQKMHPKIZ-WWFYQEPMSA-N
MW485.72 g/mol
LogP10.30
Rot. Bonds3

About 1-(3,5-dimethylphenyl)indole;bis(1-methyl-2-[(Z)-prop-1-enyl]benzene)

1-(3,5-dimethylphenyl)indole;bis(1-methyl-2-[(Z)-prop-1-enyl]benzene) (PubChem CID 144815657) has the molecular formula C36H39N and a molecular weight of 485.72 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)indole;bis(1-methyl-2-[(Z)-prop-1-enyl]benzene).

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)indole;bis(1-methyl-2-[(Z)-prop-1-enyl]benzene)
PubChem CID144815657
Molecular FormulaC36H39N
Molecular Weight485.72 g/mol
Exact Mass485.31
IUPAC Name1-(3,5-dimethylphenyl)indole;bis(1-methyl-2-[(Z)-prop-1-enyl]benzene)
SMILESC/C=C\c1ccccc1C.C/C=C\c1ccccc1C.Cc1cc(C)cc(-n2ccc3ccccc32)c1
InChIInChI=1S/C16H15N.2C10H12/c1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)17;2*1-3-6-10-8-5-4-7-9(10)2/h3-11H,1-2H3;2*3-8H,1-2H3/b;2*6-3-
InChIKeyUJLDMCQKMHPKIZ-WWFYQEPMSA-N
XLogP10.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.72
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 145388668
1-(3,5-dimethylphenyl)-6-methylindole
CID 102474206
2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 144743897
4-indol-1-yl-N,6-dimethylpyridin-2-amine
CID 19029060
3-indol-1-ylbenzamide;hydrochloride
CID 70409706
2-indol-1-ylbenzaldehyde
CID 22400862
1-(8-methyldibenzofuran-2-yl)indole;hydrobromide
CID 145083191
3-indol-1-ylbenzaldehyde
CID 175205647
2-indol-1-yl-6-methyl-1,3-benzothiazole
CID 15048330
4-[3,5-di(indol-1-yl)phenyl]heptan-4-amine
CID 70917805
CID 102409239
CID 102409239
(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(1Z)-1-ethylidene-9-methylphenalene;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 160905157

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)indole;bis(1-methyl-2-[(Z)-prop-1-enyl]benzene)?
The IUPAC name of 1-(3,5-dimethylphenyl)indole;bis(1-methyl-2-[(Z)-prop-1-enyl]benzene) (CID 144815657) is 1-(3,5-dimethylphenyl)indole;bis(1-methyl-2-[(Z)-prop-1-enyl]benzene).
What is the SMILES notation for 1-(3,5-dimethylphenyl)indole;bis(1-methyl-2-[(Z)-prop-1-enyl]benzene)?
The canonical SMILES for 1-(3,5-dimethylphenyl)indole;bis(1-methyl-2-[(Z)-prop-1-enyl]benzene) is C/C=C\c1ccccc1C.C/C=C\c1ccccc1C.Cc1cc(C)cc(-n2ccc3ccccc32)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)indole;bis(1-methyl-2-[(Z)-prop-1-enyl]benzene)?
The InChIKey is UJLDMCQKMHPKIZ-WWFYQEPMSA-N. The full InChI is InChI=1S/C16H15N.2C10H12/c1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)17;2*1-3-6-10-8-5-4-7-9(10)2/h3-11H,1-2H3;2*3-8H,1-2H3/b;2*6-3-.
What are the key properties of 1-(3,5-dimethylphenyl)indole;bis(1-methyl-2-[(Z)-prop-1-enyl]benzene)?
1-(3,5-dimethylphenyl)indole;bis(1-methyl-2-[(Z)-prop-1-enyl]benzene) has a molecular weight of 485.72 g/mol, XLogP of 10.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)indole;bis(1-methyl-2-[(Z)-prop-1-enyl]benzene) is sourced from PubChem (CID 144815657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).