3-[3-(4-methoxyphenyl)-1-phenylpropa-1,2-dienyl]-2-phenylindazole

C29H22N2O — CID 132573052

IUPAC3-[3-(4-methoxyphenyl)-1-phenylpropa-1,2-dienyl]-2-phenylindazole
SMILESCOc1ccc(C=C=C(c2ccccc2)c2c3ccccc3nn2-c2ccccc2)cc1
InChIInChI=1S/C29H22N2O/c1-32-25-19-16-22(17-20-25)18-21-26(23-10-4-2-5-11-23)29-27-14-8-9-15-28(27)30-31(29)24-12-6-3-7-13-24/h2-20H,1H3
InChIKeyYTEOJQMMTSWAFF-UHFFFAOYSA-N
MW414.51 g/mol
LogP6.78
Rot. Bonds5

About 3-[3-(4-methoxyphenyl)-1-phenylpropa-1,2-dienyl]-2-phenylindazole

3-[3-(4-methoxyphenyl)-1-phenylpropa-1,2-dienyl]-2-phenylindazole (PubChem CID 132573052) has the molecular formula C29H22N2O and a molecular weight of 414.51 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1-phenylpropa-1,2-dienyl]-2-phenylindazole.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1-phenylpropa-1,2-dienyl]-2-phenylindazole
PubChem CID132573052
Molecular FormulaC29H22N2O
Molecular Weight414.51 g/mol
Exact Mass414.17
IUPAC Name3-[3-(4-methoxyphenyl)-1-phenylpropa-1,2-dienyl]-2-phenylindazole
SMILESCOc1ccc(C=C=C(c2ccccc2)c2c3ccccc3nn2-c2ccccc2)cc1
InChIInChI=1S/C29H22N2O/c1-32-25-19-16-22(17-20-25)18-21-26(23-10-4-2-5-11-23)29-27-14-8-9-15-28(27)30-31(29)24-12-6-3-7-13-24/h2-20H,1H3
InChIKeyYTEOJQMMTSWAFF-UHFFFAOYSA-N
XLogP6.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-(3-phenyl-3-propan-2-ylsulfanylpropa-1,2-dienyl)benzene
CID 101253357
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
(4-chlorophenyl)-(2-phenylindazol-3-yl)methanone
CID 71481537
2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid
CID 152754992
1-(3,4-dimethylpenta-1,2-dienyl)-4-methoxybenzene
CID 134968681
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7145313
5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 156773816
triethyl-[(5-methoxy-2-phenylindazol-3-yl)methoxy]silane
CID 11428628
(E)-3-(4-methoxyphenyl)-1-(5-methyl-1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 31247775
2-[2-(4-methoxyphenyl)ethenyl]-3-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]quinazolin-4-one
CID 71960265
2-(4-methoxyphenyl)-4-methylquinazoline
CID 15566164

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1-phenylpropa-1,2-dienyl]-2-phenylindazole?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1-phenylpropa-1,2-dienyl]-2-phenylindazole (CID 132573052) is 3-[3-(4-methoxyphenyl)-1-phenylpropa-1,2-dienyl]-2-phenylindazole.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1-phenylpropa-1,2-dienyl]-2-phenylindazole?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1-phenylpropa-1,2-dienyl]-2-phenylindazole is COc1ccc(C=C=C(c2ccccc2)c2c3ccccc3nn2-c2ccccc2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1-phenylpropa-1,2-dienyl]-2-phenylindazole?
The InChIKey is YTEOJQMMTSWAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O/c1-32-25-19-16-22(17-20-25)18-21-26(23-10-4-2-5-11-23)29-27-14-8-9-15-28(27)30-31(29)24-12-6-3-7-13-24/h2-20H,1H3.
What are the key properties of 3-[3-(4-methoxyphenyl)-1-phenylpropa-1,2-dienyl]-2-phenylindazole?
3-[3-(4-methoxyphenyl)-1-phenylpropa-1,2-dienyl]-2-phenylindazole has a molecular weight of 414.51 g/mol, XLogP of 6.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1-phenylpropa-1,2-dienyl]-2-phenylindazole is sourced from PubChem (CID 132573052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).