chloro-[[4-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethoxyphenyl]methyl]-triphenyl-λ5-phosphane;1,4-dimethoxy-2-[(E)-2-[3-methoxy-4-(6-methoxyhexoxy)phenyl]ethenyl]-5-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]benzene;4-[6-(4-formyl-2-methoxyphenoxy)hexoxy]-3-methoxybenzaldehyde

C102H110Cl2O14P2 — CID 157226164

IUPACchloro-[[4-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethoxyphenyl]methyl]-triphenyl-λ5-phosphane;1,4-dimethoxy-2-[(E)-2-[3-methoxy-4-(6-methoxyhexoxy)phenyl]ethenyl]-5-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]benzene;4-[6-(4-formyl-2-methoxyphenoxy)hexoxy]-3-methoxybenzaldehyde
SMILESCOCCCCCCOc1ccc(/C=C/c2cc(OC)c(/C=C/c3ccc(C)c(OC)c3)cc2OC)cc1OC.COc1cc(C=O)ccc1OCCCCCCOc1ccc(C=O)cc1OC.COc1cc(CP(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)c(OC)cc1CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C46H42Cl2O2P2.C34H42O6.C22H26O6/c1-49-45-33-38(36-52(48,42-27-15-6-16-28-42,43-29-17-7-18-30-43)44-31-19-8-20-32-44)46(50-2)34-37(45)35-51(47,39-21-9-3-10-22-39,40-23-11-4-12-24-40)41-25-13-5-14-26-41;1-25-11-12-26(21-31(25)36-3)13-16-28-23-33(38-5)29(24-32(28)37-4)17-14-27-15-18-30(34(22-27)39-6)40-20-10-8-7-9-19-35-2;1-25-21-13-17(15-23)7-9-19(21)27-11-5-3-4-6-12-28-20-10-8-18(16-24)14-22(20)26-2/h3-34H,35-36H2,1-2H3;11-18,21-24H,7-10,19-20H2,1-6H3;7-10,13-16H,3-6,11-12H2,1-2H3/b;16-13+,17-14+;
InChIKeyATODUQODNBXJGD-SPVREHPCSA-N
MW1692.84 g/mol
LogP22.37
Rot. Bonds41

About chloro-[[4-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethoxyphenyl]methyl]-triphenyl-λ5-phosphane;1,4-dimethoxy-2-[(E)-2-[3-methoxy-4-(6-methoxyhexoxy)phenyl]ethenyl]-5-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]benzene;4-[6-(4-formyl-2-methoxyphenoxy)hexoxy]-3-methoxybenzaldehyde

chloro-[[4-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethoxyphenyl]methyl]-triphenyl-λ5-phosphane;1,4-dimethoxy-2-[(E)-2-[3-methoxy-4-(6-methoxyhexoxy)phenyl]ethenyl]-5-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]benzene;4-[6-(4-formyl-2-methoxyphenoxy)hexoxy]-3-methoxybenzaldehyde (PubChem CID 157226164) has the molecular formula C102H110Cl2O14P2 and a molecular weight of 1692.84 g/mol. Its IUPAC name is chloro-[[4-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethoxyphenyl]methyl]-triphenyl-λ5-phosphane;1,4-dimethoxy-2-[(E)-2-[3-methoxy-4-(6-methoxyhexoxy)phenyl]ethenyl]-5-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]benzene;4-[6-(4-formyl-2-methoxyphenoxy)hexoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Namechloro-[[4-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethoxyphenyl]methyl]-triphenyl-λ5-phosphane;1,4-dimethoxy-2-[(E)-2-[3-methoxy-4-(6-methoxyhexoxy)phenyl]ethenyl]-5-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]benzene;4-[6-(4-formyl-2-methoxyphenoxy)hexoxy]-3-methoxybenzaldehyde
PubChem CID157226164
Molecular FormulaC102H110Cl2O14P2
Molecular Weight1692.84 g/mol
Exact Mass1690.67
IUPAC Namechloro-[[4-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethoxyphenyl]methyl]-triphenyl-λ5-phosphane;1,4-dimethoxy-2-[(E)-2-[3-methoxy-4-(6-methoxyhexoxy)phenyl]ethenyl]-5-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]benzene;4-[6-(4-formyl-2-methoxyphenoxy)hexoxy]-3-methoxybenzaldehyde
SMILESCOCCCCCCOc1ccc(/C=C/c2cc(OC)c(/C=C/c3ccc(C)c(OC)c3)cc2OC)cc1OC.COc1cc(C=O)ccc1OCCCCCCOc1ccc(C=O)cc1OC.COc1cc(CP(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)c(OC)cc1CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C46H42Cl2O2P2.C34H42O6.C22H26O6/c1-49-45-33-38(36-52(48,42-27-15-6-16-28-42,43-29-17-7-18-30-43)44-31-19-8-20-32-44)46(50-2)34-37(45)35-51(47,39-21-9-3-10-22-39,40-23-11-4-12-24-40)41-25-13-5-14-26-41;1-25-11-12-26(21-31(25)36-3)13-16-28-23-33(38-5)29(24-32(28)37-4)17-14-27-15-18-30(34(22-27)39-6)40-20-10-8-7-9-19-35-2;1-25-21-13-17(15-23)7-9-19(21)27-11-5-3-4-6-12-28-20-10-8-18(16-24)14-22(20)26-2/h3-34H,35-36H2,1-2H3;11-18,21-24H,7-10,19-20H2,1-6H3;7-10,13-16H,3-6,11-12H2,1-2H3/b;16-13+,17-14+;
InChIKeyATODUQODNBXJGD-SPVREHPCSA-N
XLogP22.37
TPSA144.90 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds41
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001692.84
LogP ≤ 522.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze chloro-[[4-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethoxyphenyl]methyl]-triphenyl-λ5-phosphane;1,4-dimethoxy-2-[(E)-2-[3-methoxy-4-(6-methoxyhexoxy)phenyl]ethenyl]-5-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]benzene;4-[6-(4-formyl-2-methoxyphenoxy)hexoxy]-3-methoxybenzaldehyde with MolForge

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Related Compounds

chloro-[[4-[[chloro(triphenyl)-λ5-phosphanyl]methyl]phenyl]methyl]-triphenyl-λ5-phosphane;5-[(E)-2-[4-[(E)-2-[3,5-dimethoxy-4-(6-methoxyhexoxy)phenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-methylbenzene;4-[6-(4-formyl-2,6-dimethoxyphenoxy)hexoxy]-3,5-dimethoxybenzaldehyde
CID 161326560
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-[3-(2,5-dimethylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2264220
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179915
4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
CID 59839085
2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene
CID 102312295
(E)-3-(4-hexoxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 134814022
1-(8-iodooctoxy)-4-[(E)-2-[4-(8-iodooctoxy)-3-methoxyphenyl]ethenyl]-2-methoxybenzene
CID 176915558
4-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 2283387
4-[3-(4-bromo-2,6-dimethylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2282859
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191

Frequently Asked Questions

What is the IUPAC name of chloro-[[4-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethoxyphenyl]methyl]-triphenyl-λ5-phosphane;1,4-dimethoxy-2-[(E)-2-[3-methoxy-4-(6-methoxyhexoxy)phenyl]ethenyl]-5-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]benzene;4-[6-(4-formyl-2-methoxyphenoxy)hexoxy]-3-methoxybenzaldehyde?
The IUPAC name of chloro-[[4-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethoxyphenyl]methyl]-triphenyl-λ5-phosphane;1,4-dimethoxy-2-[(E)-2-[3-methoxy-4-(6-methoxyhexoxy)phenyl]ethenyl]-5-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]benzene;4-[6-(4-formyl-2-methoxyphenoxy)hexoxy]-3-methoxybenzaldehyde (CID 157226164) is chloro-[[4-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethoxyphenyl]methyl]-triphenyl-λ5-phosphane;1,4-dimethoxy-2-[(E)-2-[3-methoxy-4-(6-methoxyhexoxy)phenyl]ethenyl]-5-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]benzene;4-[6-(4-formyl-2-methoxyphenoxy)hexoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for chloro-[[4-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethoxyphenyl]methyl]-triphenyl-λ5-phosphane;1,4-dimethoxy-2-[(E)-2-[3-methoxy-4-(6-methoxyhexoxy)phenyl]ethenyl]-5-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]benzene;4-[6-(4-formyl-2-methoxyphenoxy)hexoxy]-3-methoxybenzaldehyde?
The canonical SMILES for chloro-[[4-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethoxyphenyl]methyl]-triphenyl-λ5-phosphane;1,4-dimethoxy-2-[(E)-2-[3-methoxy-4-(6-methoxyhexoxy)phenyl]ethenyl]-5-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]benzene;4-[6-(4-formyl-2-methoxyphenoxy)hexoxy]-3-methoxybenzaldehyde is COCCCCCCOc1ccc(/C=C/c2cc(OC)c(/C=C/c3ccc(C)c(OC)c3)cc2OC)cc1OC.COc1cc(C=O)ccc1OCCCCCCOc1ccc(C=O)cc1OC.COc1cc(CP(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)c(OC)cc1CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-[[4-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethoxyphenyl]methyl]-triphenyl-λ5-phosphane;1,4-dimethoxy-2-[(E)-2-[3-methoxy-4-(6-methoxyhexoxy)phenyl]ethenyl]-5-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]benzene;4-[6-(4-formyl-2-methoxyphenoxy)hexoxy]-3-methoxybenzaldehyde?
The InChIKey is ATODUQODNBXJGD-SPVREHPCSA-N. The full InChI is InChI=1S/C46H42Cl2O2P2.C34H42O6.C22H26O6/c1-49-45-33-38(36-52(48,42-27-15-6-16-28-42,43-29-17-7-18-30-43)44-31-19-8-20-32-44)46(50-2)34-37(45)35-51(47,39-21-9-3-10-22-39,40-23-11-4-12-24-40)41-25-13-5-14-26-41;1-25-11-12-26(21-31(25)36-3)13-16-28-23-33(38-5)29(24-32(28)37-4)17-14-27-15-18-30(34(22-27)39-6)40-20-10-8-7-9-19-35-2;1-25-21-13-17(15-23)7-9-19(21)27-11-5-3-4-6-12-28-20-10-8-18(16-24)14-22(20)26-2/h3-34H,35-36H2,1-2H3;11-18,21-24H,7-10,19-20H2,1-6H3;7-10,13-16H,3-6,11-12H2,1-2H3/b;16-13+,17-14+;.
What are the key properties of chloro-[[4-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethoxyphenyl]methyl]-triphenyl-λ5-phosphane;1,4-dimethoxy-2-[(E)-2-[3-methoxy-4-(6-methoxyhexoxy)phenyl]ethenyl]-5-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]benzene;4-[6-(4-formyl-2-methoxyphenoxy)hexoxy]-3-methoxybenzaldehyde?
chloro-[[4-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethoxyphenyl]methyl]-triphenyl-λ5-phosphane;1,4-dimethoxy-2-[(E)-2-[3-methoxy-4-(6-methoxyhexoxy)phenyl]ethenyl]-5-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]benzene;4-[6-(4-formyl-2-methoxyphenoxy)hexoxy]-3-methoxybenzaldehyde has a molecular weight of 1692.84 g/mol, XLogP of 22.37, 41 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[[4-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,5-dimethoxyphenyl]methyl]-triphenyl-λ5-phosphane;1,4-dimethoxy-2-[(E)-2-[3-methoxy-4-(6-methoxyhexoxy)phenyl]ethenyl]-5-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]benzene;4-[6-(4-formyl-2-methoxyphenoxy)hexoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 157226164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).