4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde

C50H54O14P2 — CID 146519174

IUPAC4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde
SMILESCOc1cc(P(c2cc(OC)c(OC)c(OC)c2)c2cccc(OC)c2-c2c(OC)cccc2P(c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1C=O
InChIInChI=1S/C50H54O14P2/c1-52-34-16-14-18-44(65(29-20-36(54-3)33(28-51)37(21-29)55-4)30-22-38(56-5)48(62-11)39(23-30)57-6)46(34)47-35(53-2)17-15-19-45(47)66(31-24-40(58-7)49(63-12)41(25-31)59-8)32-26-42(60-9)50(64-13)43(27-32)61-10/h14-28H,1-13H3
InChIKeyMILIKRQDINQQQQ-UHFFFAOYSA-N
MW940.92 g/mol
LogP6.79
Rot. Bonds21

About 4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde

4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde (PubChem CID 146519174) has the molecular formula C50H54O14P2 and a molecular weight of 940.92 g/mol. Its IUPAC name is 4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde.

Molecular Properties

Compound Name4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde
PubChem CID146519174
Molecular FormulaC50H54O14P2
Molecular Weight940.92 g/mol
Exact Mass940.30
IUPAC Name4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde
SMILESCOc1cc(P(c2cc(OC)c(OC)c(OC)c2)c2cccc(OC)c2-c2c(OC)cccc2P(c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1C=O
InChIInChI=1S/C50H54O14P2/c1-52-34-16-14-18-44(65(29-20-36(54-3)33(28-51)37(21-29)55-4)30-22-38(56-5)48(62-11)39(23-30)57-6)46(34)47-35(53-2)17-15-19-45(47)66(31-24-40(58-7)49(63-12)41(25-31)59-8)32-26-42(60-9)50(64-13)43(27-32)61-10/h14-28H,1-13H3
InChIKeyMILIKRQDINQQQQ-UHFFFAOYSA-N
XLogP6.79
TPSA137.06 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500940.92
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde with MolForge

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Related Compounds

[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
CID 134828499
[2-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane;dichloroplatinum
CID 11378382
acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium
CID 10865680
2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde
CID 91083738
2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde
CID 90687309
[2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
CID 149137608
lithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride
CID 174416318
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde
CID 91071721
[2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane
CID 11490978
propanal;1,2,3-trimethoxybenzene
CID 174975216
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde?
The IUPAC name of 4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde (CID 146519174) is 4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde.
What is the SMILES notation for 4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde?
The canonical SMILES for 4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde is COc1cc(P(c2cc(OC)c(OC)c(OC)c2)c2cccc(OC)c2-c2c(OC)cccc2P(c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1C=O.
What is the InChIKey of 4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde?
The InChIKey is MILIKRQDINQQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H54O14P2/c1-52-34-16-14-18-44(65(29-20-36(54-3)33(28-51)37(21-29)55-4)30-22-38(56-5)48(62-11)39(23-30)57-6)46(34)47-35(53-2)17-15-19-45(47)66(31-24-40(58-7)49(63-12)41(25-31)59-8)32-26-42(60-9)50(64-13)43(27-32)61-10/h14-28H,1-13H3.
What are the key properties of 4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde?
4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde has a molecular weight of 940.92 g/mol, XLogP of 6.79, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde is sourced from PubChem (CID 146519174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).