bromo-[(3,4-dimethoxyphenyl)methyl]-triphenyl-λ5-phosphane;3-[2-(3,4-dimethoxyphenyl)ethenyl]-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole;3-methoxy-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole

C72H74BrN4O11P — CID 158304903

IUPACbromo-[(3,4-dimethoxyphenyl)methyl]-triphenyl-λ5-phosphane;3-[2-(3,4-dimethoxyphenyl)ethenyl]-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole;3-methoxy-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole
SMILESCOCOc1ccc(-c2ccc3c(C=Cc4ccc(OC)c(OC)c4)nn(C)c3c2)cc1OC.COCOc1ccc(-c2ccc3c(OC)nn(C)c3c2)cc1OC.COc1ccc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C27H26BrO2P.C27H28N2O5.C18H20N2O4/c1-29-26-19-18-22(20-27(26)30-2)21-31(28,23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25;1-29-23-15-19(20-9-13-25(34-17-30-2)27(16-20)33-5)8-10-21(23)22(28-29)11-6-18-7-12-24(31-3)26(14-18)32-4;1-20-15-9-12(5-7-14(15)18(19-20)23-4)13-6-8-16(24-11-21-2)17(10-13)22-3/h3-20H,21H2,1-2H3;6-16H,17H2,1-5H3;5-10H,11H2,1-4H3
InChIKeyGMYNKGRFQLJWSD-UHFFFAOYSA-N
MW1282.28 g/mol
LogP14.70
Rot. Bonds22

About bromo-[(3,4-dimethoxyphenyl)methyl]-triphenyl-λ5-phosphane;3-[2-(3,4-dimethoxyphenyl)ethenyl]-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole;3-methoxy-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole

bromo-[(3,4-dimethoxyphenyl)methyl]-triphenyl-λ5-phosphane;3-[2-(3,4-dimethoxyphenyl)ethenyl]-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole;3-methoxy-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole (PubChem CID 158304903) has the molecular formula C72H74BrN4O11P and a molecular weight of 1282.28 g/mol. Its IUPAC name is bromo-[(3,4-dimethoxyphenyl)methyl]-triphenyl-λ5-phosphane;3-[2-(3,4-dimethoxyphenyl)ethenyl]-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole;3-methoxy-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole.

Molecular Properties

Compound Namebromo-[(3,4-dimethoxyphenyl)methyl]-triphenyl-λ5-phosphane;3-[2-(3,4-dimethoxyphenyl)ethenyl]-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole;3-methoxy-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole
PubChem CID158304903
Molecular FormulaC72H74BrN4O11P
Molecular Weight1282.28 g/mol
Exact Mass1280.43
IUPAC Namebromo-[(3,4-dimethoxyphenyl)methyl]-triphenyl-λ5-phosphane;3-[2-(3,4-dimethoxyphenyl)ethenyl]-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole;3-methoxy-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole
SMILESCOCOc1ccc(-c2ccc3c(C=Cc4ccc(OC)c(OC)c4)nn(C)c3c2)cc1OC.COCOc1ccc(-c2ccc3c(OC)nn(C)c3c2)cc1OC.COc1ccc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C27H26BrO2P.C27H28N2O5.C18H20N2O4/c1-29-26-19-18-22(20-27(26)30-2)21-31(28,23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25;1-29-23-15-19(20-9-13-25(34-17-30-2)27(16-20)33-5)8-10-21(23)22(28-29)11-6-18-7-12-24(31-3)26(14-18)32-4;1-20-15-9-12(5-7-14(15)18(19-20)23-4)13-6-8-16(24-11-21-2)17(10-13)22-3/h3-20H,21H2,1-2H3;6-16H,17H2,1-5H3;5-10H,11H2,1-4H3
InChIKeyGMYNKGRFQLJWSD-UHFFFAOYSA-N
XLogP14.70
TPSA137.17 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001282.28
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bromo-[(3,4-dimethoxyphenyl)methyl]-triphenyl-λ5-phosphane;3-[2-(3,4-dimethoxyphenyl)ethenyl]-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole;3-methoxy-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole with MolForge

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Related Compounds

2-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-1,3-thiazole;[3,4-bis(methoxymethoxy)phenyl]methyl-bromo-triphenyl-λ5-phosphane;1,3-thiazole-2-carbaldehyde
CID 158854186
bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane
CID 158729815
2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 69370102
1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene
CID 11730255
4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol
CID 54330886
2-[4-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]phenyl]acetamide
CID 90856781
2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline
CID 5475836
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
4-ethenyl-2-methoxy-1-(methoxymethoxy)benzene
CID 59623316
bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenyl]methyl]-triphenyl-λ5-phosphane;2-[(E)-2-[3,5-dimethoxy-4-(6-methoxyhexoxy)phenyl]ethenyl]-6-[(E)-2-(3,5-dimethoxy-4-methylphenyl)ethenyl]pyridine;4-[6-(4-formyl-2,6-dimethoxyphenoxy)hexoxy]-3,5-dimethoxybenzaldehyde
CID 160545797
tert-butyl N-[2-[4-[2-[6-[3-methoxy-4-(methoxymethoxy)phenyl]-1H-indazol-3-yl]ethenyl]anilino]-2-oxoethyl]carbamate
CID 90847051
[3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium
CID 22381105

Frequently Asked Questions

What is the IUPAC name of bromo-[(3,4-dimethoxyphenyl)methyl]-triphenyl-λ5-phosphane;3-[2-(3,4-dimethoxyphenyl)ethenyl]-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole;3-methoxy-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole?
The IUPAC name of bromo-[(3,4-dimethoxyphenyl)methyl]-triphenyl-λ5-phosphane;3-[2-(3,4-dimethoxyphenyl)ethenyl]-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole;3-methoxy-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole (CID 158304903) is bromo-[(3,4-dimethoxyphenyl)methyl]-triphenyl-λ5-phosphane;3-[2-(3,4-dimethoxyphenyl)ethenyl]-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole;3-methoxy-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole.
What is the SMILES notation for bromo-[(3,4-dimethoxyphenyl)methyl]-triphenyl-λ5-phosphane;3-[2-(3,4-dimethoxyphenyl)ethenyl]-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole;3-methoxy-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole?
The canonical SMILES for bromo-[(3,4-dimethoxyphenyl)methyl]-triphenyl-λ5-phosphane;3-[2-(3,4-dimethoxyphenyl)ethenyl]-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole;3-methoxy-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole is COCOc1ccc(-c2ccc3c(C=Cc4ccc(OC)c(OC)c4)nn(C)c3c2)cc1OC.COCOc1ccc(-c2ccc3c(OC)nn(C)c3c2)cc1OC.COc1ccc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1OC.
What is the InChIKey of bromo-[(3,4-dimethoxyphenyl)methyl]-triphenyl-λ5-phosphane;3-[2-(3,4-dimethoxyphenyl)ethenyl]-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole;3-methoxy-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole?
The InChIKey is GMYNKGRFQLJWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BrO2P.C27H28N2O5.C18H20N2O4/c1-29-26-19-18-22(20-27(26)30-2)21-31(28,23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25;1-29-23-15-19(20-9-13-25(34-17-30-2)27(16-20)33-5)8-10-21(23)22(28-29)11-6-18-7-12-24(31-3)26(14-18)32-4;1-20-15-9-12(5-7-14(15)18(19-20)23-4)13-6-8-16(24-11-21-2)17(10-13)22-3/h3-20H,21H2,1-2H3;6-16H,17H2,1-5H3;5-10H,11H2,1-4H3.
What are the key properties of bromo-[(3,4-dimethoxyphenyl)methyl]-triphenyl-λ5-phosphane;3-[2-(3,4-dimethoxyphenyl)ethenyl]-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole;3-methoxy-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole?
bromo-[(3,4-dimethoxyphenyl)methyl]-triphenyl-λ5-phosphane;3-[2-(3,4-dimethoxyphenyl)ethenyl]-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole;3-methoxy-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole has a molecular weight of 1282.28 g/mol, XLogP of 14.70, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[(3,4-dimethoxyphenyl)methyl]-triphenyl-λ5-phosphane;3-[2-(3,4-dimethoxyphenyl)ethenyl]-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole;3-methoxy-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole is sourced from PubChem (CID 158304903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).