(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane

C30H32O4P2 — CID 25059236

IUPAC(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane
SMILESCOc1ccc(OC)c([P@](CC[P@@](c2ccccc2)c2cc(OC)ccc2OC)c2ccccc2)c1
InChIInChI=1S/C30H32O4P2/c1-31-23-15-17-27(33-3)29(21-23)35(25-11-7-5-8-12-25)19-20-36(26-13-9-6-10-14-26)30-22-24(32-2)16-18-28(30)34-4/h5-18,21-22H,19-20H2,1-4H3/t35-,36+
InChIKeyRTUPSASRVQOJJL-TYHGNQNSSA-N
MW518.53 g/mol
LogP5.29
Rot. Bonds11

About (2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane

(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane (PubChem CID 25059236) has the molecular formula C30H32O4P2 and a molecular weight of 518.53 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane
PubChem CID25059236
Molecular FormulaC30H32O4P2
Molecular Weight518.53 g/mol
Exact Mass518.18
IUPAC Name(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane
SMILESCOc1ccc(OC)c([P@](CC[P@@](c2ccccc2)c2cc(OC)ccc2OC)c2ccccc2)c1
InChIInChI=1S/C30H32O4P2/c1-31-23-15-17-27(33-3)29(21-23)35(25-11-7-5-8-12-25)19-20-36(26-13-9-6-10-14-26)30-22-24(32-2)16-18-28(30)34-4/h5-18,21-22H,19-20H2,1-4H3/t35-,36+
InChIKeyRTUPSASRVQOJJL-TYHGNQNSSA-N
XLogP5.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.53
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane
CID 173003302
(2-methoxyphenyl)-[2-[(2-methoxyphenyl)-methylphosphanyl]ethyl]-phenylphosphane
CID 72586842
[2-[2-[(2-methoxyphenyl)-phenylphosphanyl]ethyl-phenylphosphanyl]phenyl]methanol
CID 140578205
(1Z,5Z)-cycloocta-1,5-diene;(2-methoxyphenyl)-[2-[(2-methoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane;rhodium(2+);tetrafluoroborate
CID 133126630
1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene
CID 159369138
benzyl-bis(4-methoxyphenyl)phosphane
CID 19835460
3-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane
CID 54403978
(4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane
CID 174887519
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
(1R)-N-[2-[(2-methoxyphenyl)-phenylphosphanyl]ethyl]-1-phenylethanamine
CID 102405942
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
phenyl-bis(2,4,6-trimethoxyphenyl)phosphane
CID 54206257

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane?
The IUPAC name of (2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane (CID 25059236) is (2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane?
The canonical SMILES for (2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane is COc1ccc(OC)c([P@](CC[P@@](c2ccccc2)c2cc(OC)ccc2OC)c2ccccc2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane?
The InChIKey is RTUPSASRVQOJJL-TYHGNQNSSA-N. The full InChI is InChI=1S/C30H32O4P2/c1-31-23-15-17-27(33-3)29(21-23)35(25-11-7-5-8-12-25)19-20-36(26-13-9-6-10-14-26)30-22-24(32-2)16-18-28(30)34-4/h5-18,21-22H,19-20H2,1-4H3/t35-,36+.
What are the key properties of (2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane?
(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane has a molecular weight of 518.53 g/mol, XLogP of 5.29, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane is sourced from PubChem (CID 25059236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).