[2-[bis(4-methoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(4-methoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane

C47H51O6P3 — CID 87392310

IUPAC[2-[bis(4-methoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(4-methoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane
SMILESCOc1ccc(C(P)(c2ccc(OC)cc2)C(C)(C(P)(c2ccc(OC)cc2)c2ccc(OC)cc2)C(P)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C47H51O6P3/c1-44(45(54,32-8-20-38(48-2)21-9-32)33-10-22-39(49-3)23-11-33,46(55,34-12-24-40(50-4)25-13-34)35-14-26-41(51-5)27-15-35)47(56,36-16-28-42(52-6)29-17-36)37-18-30-43(53-7)31-19-37/h8-31H,54-56H2,1-7H3
InChIKeyQATVFFNWOUQYPQ-UHFFFAOYSA-N
MW804.84 g/mol
LogP10.50
Rot. Bonds15

About [2-[bis(4-methoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(4-methoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane

[2-[bis(4-methoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(4-methoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane (PubChem CID 87392310) has the molecular formula C47H51O6P3 and a molecular weight of 804.84 g/mol. Its IUPAC name is [2-[bis(4-methoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(4-methoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane.

Molecular Properties

Compound Name[2-[bis(4-methoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(4-methoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane
PubChem CID87392310
Molecular FormulaC47H51O6P3
Molecular Weight804.84 g/mol
Exact Mass804.29
IUPAC Name[2-[bis(4-methoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(4-methoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane
SMILESCOc1ccc(C(P)(c2ccc(OC)cc2)C(C)(C(P)(c2ccc(OC)cc2)c2ccc(OC)cc2)C(P)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C47H51O6P3/c1-44(45(54,32-8-20-38(48-2)21-9-32)33-10-22-39(49-3)23-11-33,46(55,34-12-24-40(50-4)25-13-34)35-14-26-41(51-5)27-15-35)47(56,36-16-28-42(52-6)29-17-36)37-18-30-43(53-7)31-19-37/h8-31H,54-56H2,1-7H3
InChIKeyQATVFFNWOUQYPQ-UHFFFAOYSA-N
XLogP10.50
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.84
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 102373172
CID 102373172
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(1R)-1-iodo-1-(4-methoxyphenyl)ethanamine
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CID 10307904
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
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4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 19875161

Frequently Asked Questions

What is the IUPAC name of [2-[bis(4-methoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(4-methoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane?
The IUPAC name of [2-[bis(4-methoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(4-methoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane (CID 87392310) is [2-[bis(4-methoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(4-methoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane.
What is the SMILES notation for [2-[bis(4-methoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(4-methoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane?
The canonical SMILES for [2-[bis(4-methoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(4-methoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane is COc1ccc(C(P)(c2ccc(OC)cc2)C(C)(C(P)(c2ccc(OC)cc2)c2ccc(OC)cc2)C(P)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [2-[bis(4-methoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(4-methoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane?
The InChIKey is QATVFFNWOUQYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H51O6P3/c1-44(45(54,32-8-20-38(48-2)21-9-32)33-10-22-39(49-3)23-11-33,46(55,34-12-24-40(50-4)25-13-34)35-14-26-41(51-5)27-15-35)47(56,36-16-28-42(52-6)29-17-36)37-18-30-43(53-7)31-19-37/h8-31H,54-56H2,1-7H3.
What are the key properties of [2-[bis(4-methoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(4-methoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane?
[2-[bis(4-methoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(4-methoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane has a molecular weight of 804.84 g/mol, XLogP of 10.50, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(4-methoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(4-methoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane is sourced from PubChem (CID 87392310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).