[2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane

C48H52O5P2 — CID 149137608

IUPAC[2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
SMILESCOc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccccc2Oc2ccccc2P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C
InChIInChI=1S/C48H52O5P2/c1-29-21-37(22-30(2)45(29)49-9)54(38-23-31(3)46(50-10)32(4)24-38)43-19-15-13-17-41(43)53-42-18-14-16-20-44(42)55(39-25-33(5)47(51-11)34(6)26-39)40-27-35(7)48(52-12)36(8)28-40/h13-28H,1-12H3
InChIKeyRFWCWUVNSVLWLG-UHFFFAOYSA-N
MW770.89 g/mol
LogP9.50
Rot. Bonds12

About [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane

[2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane (PubChem CID 149137608) has the molecular formula C48H52O5P2 and a molecular weight of 770.89 g/mol. Its IUPAC name is [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Name[2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
PubChem CID149137608
Molecular FormulaC48H52O5P2
Molecular Weight770.89 g/mol
Exact Mass770.33
IUPAC Name[2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
SMILESCOc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccccc2Oc2ccccc2P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C
InChIInChI=1S/C48H52O5P2/c1-29-21-37(22-30(2)45(29)49-9)54(38-23-31(3)46(50-10)32(4)24-38)43-19-15-13-17-41(43)53-42-18-14-16-20-44(42)55(39-25-33(5)47(51-11)34(6)26-39)40-27-35(7)48(52-12)36(8)28-40/h13-28H,1-12H3
InChIKeyRFWCWUVNSVLWLG-UHFFFAOYSA-N
XLogP9.50
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.89
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold
CID 135084915
[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;rhodium;perchlorate
CID 135084630
[2-[2-bis(2,4,6-trimethylphenyl)boranylphenoxy]phenyl]-diphenylphosphane
CID 23643524
bis(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)phosphane
CID 87214745
[2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane
CID 23643523
(1S)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenyl]-N,N-dimethylmethanamine
CID 58160434
CID 25258305
CID 25258305
4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde
CID 146519174
[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-2,2,7-trimethyl-1,3-benzodioxol-4-yl]-2,2,7-trimethyl-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
CID 58839126
5-(bromomethyl)-2-methoxy-1,3-dimethylbenzene;triphenylphosphane
CID 122359838
[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
[2-[5-[(1R)-1-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylethyl]cyclopenta-1,3-dien-1-yl]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
CID 71310311

Frequently Asked Questions

What is the IUPAC name of [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The IUPAC name of [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane (CID 149137608) is [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane.
What is the SMILES notation for [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The canonical SMILES for [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane is COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccccc2Oc2ccccc2P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C.
What is the InChIKey of [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The InChIKey is RFWCWUVNSVLWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52O5P2/c1-29-21-37(22-30(2)45(29)49-9)54(38-23-31(3)46(50-10)32(4)24-38)43-19-15-13-17-41(43)53-42-18-14-16-20-44(42)55(39-25-33(5)47(51-11)34(6)26-39)40-27-35(7)48(52-12)36(8)28-40/h13-28H,1-12H3.
What are the key properties of [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
[2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane has a molecular weight of 770.89 g/mol, XLogP of 9.50, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 149137608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).