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

C102H110Cl2O14P2 — CID 161326560

IUPACchloro-[[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
SMILESCOCCCCCCOc1c(OC)cc(/C=C/c2ccc(/C=C/c3cc(OC)c(C)c(OC)c3)cc2)cc1OC.COc1cc(C=O)cc(OC)c1OCCCCCCOc1c(OC)cc(C=O)cc1OC.ClP(Cc1ccc(CP(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H38Cl2P2.C34H42O6.C24H30O8/c45-47(39-19-7-1-8-20-39,40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-37-31-33-38(34-32-37)36-48(46,42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44;1-25-30(36-3)21-28(22-31(25)37-4)17-15-26-11-13-27(14-12-26)16-18-29-23-32(38-5)34(33(24-29)39-6)40-20-10-8-7-9-19-35-2;1-27-19-11-17(15-25)12-20(28-2)23(19)31-9-7-5-6-8-10-32-24-21(29-3)13-18(16-26)14-22(24)30-4/h1-34H,35-36H2;11-18,21-24H,7-10,19-20H2,1-6H3;11-16H,5-10H2,1-4H3/b;17-15+,18-16+;
InChIKeyVKVUTNSIYNSSQK-LEJPBZRNSA-N
MW1692.84 g/mol
LogP22.37
Rot. Bonds41

About 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

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 (PubChem CID 161326560) 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]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.

Molecular Properties

Compound Namechloro-[[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
PubChem CID161326560
Molecular FormulaC102H110Cl2O14P2
Molecular Weight1692.84 g/mol
Exact Mass1690.67
IUPAC Namechloro-[[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
SMILESCOCCCCCCOc1c(OC)cc(/C=C/c2ccc(/C=C/c3cc(OC)c(C)c(OC)c3)cc2)cc1OC.COc1cc(C=O)cc(OC)c1OCCCCCCOc1c(OC)cc(C=O)cc1OC.ClP(Cc1ccc(CP(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H38Cl2P2.C34H42O6.C24H30O8/c45-47(39-19-7-1-8-20-39,40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-37-31-33-38(34-32-37)36-48(46,42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44;1-25-30(36-3)21-28(22-31(25)37-4)17-15-26-11-13-27(14-12-26)16-18-29-23-32(38-5)34(33(24-29)39-6)40-20-10-8-7-9-19-35-2;1-27-19-11-17(15-25)12-20(28-2)23(19)31-9-7-5-6-8-10-32-24-21(29-3)13-18(16-26)14-22(24)30-4/h1-34H,35-36H2;11-18,21-24H,7-10,19-20H2,1-6H3;11-16H,5-10H2,1-4H3/b;17-15+,18-16+;
InChIKeyVKVUTNSIYNSSQK-LEJPBZRNSA-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'}

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Related Compounds

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
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
2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene
CID 101038496
2-[8-(2,6-dimethoxyphenyl)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenyl)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene
CID 101038495
3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 5123930
6-[2,6-dimethoxy-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenoxy]hexanoic acid
CID 25192213
4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde
CID 7139193
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
3-(2-ethoxyphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139151
4-[2-(4-benzylpiperazin-1-yl)ethoxy]-3,5-dimethoxybenzaldehyde
CID 87531019
(E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)prop-2-enal
CID 11781494
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCCCCCOc1c(OC)cc(/C=C/c2ccc(/C=C/c3cc(OC)c(C)c(OC)c3)cc2)cc1OC.COc1cc(C=O)cc(OC)c1OCCCCCCOc1c(OC)cc(C=O)cc1OC.ClP(Cc1ccc(CP(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is VKVUTNSIYNSSQK-LEJPBZRNSA-N. The full InChI is InChI=1S/C44H38Cl2P2.C34H42O6.C24H30O8/c45-47(39-19-7-1-8-20-39,40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-37-31-33-38(34-32-37)36-48(46,42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44;1-25-30(36-3)21-28(22-31(25)37-4)17-15-26-11-13-27(14-12-26)16-18-29-23-32(38-5)34(33(24-29)39-6)40-20-10-8-7-9-19-35-2;1-27-19-11-17(15-25)12-20(28-2)23(19)31-9-7-5-6-8-10-32-24-21(29-3)13-18(16-26)14-22(24)30-4/h1-34H,35-36H2;11-18,21-24H,7-10,19-20H2,1-6H3;11-16H,5-10H2,1-4H3/b;17-15+,18-16+;.
What are the key properties of 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?
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 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]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 is sourced from PubChem (CID 161326560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).