[2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane

C38H40P2 — CID 90108584

IUPAC[2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane
SMILESCc1cccc(P(c2ccccc2P(c2cccc(C)c2C)c2cccc(C)c2C)c2cccc(C)c2C)c1C
InChIInChI=1S/C38H40P2/c1-25-15-11-21-33(29(25)5)39(34-22-12-16-26(2)30(34)6)37-19-9-10-20-38(37)40(35-23-13-17-27(3)31(35)7)36-24-14-18-28(4)32(36)8/h9-24H,1-8H3
InChIKeyNIHXGQIVCSRFDL-UHFFFAOYSA-N
MW558.69 g/mol
LogP7.67
Rot. Bonds6

About [2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane

[2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane (PubChem CID 90108584) has the molecular formula C38H40P2 and a molecular weight of 558.69 g/mol. Its IUPAC name is [2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane.

Molecular Properties

Compound Name[2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane
PubChem CID90108584
Molecular FormulaC38H40P2
Molecular Weight558.69 g/mol
Exact Mass558.26
IUPAC Name[2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane
SMILESCc1cccc(P(c2ccccc2P(c2cccc(C)c2C)c2cccc(C)c2C)c2cccc(C)c2C)c1C
InChIInChI=1S/C38H40P2/c1-25-15-11-21-33(29(25)5)39(34-22-12-16-26(2)30(34)6)37-19-9-10-20-38(37)40(35-23-13-17-27(3)31(35)7)36-24-14-18-28(4)32(36)8/h9-24H,1-8H3
InChIKeyNIHXGQIVCSRFDL-UHFFFAOYSA-N
XLogP7.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.69
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane?
The IUPAC name of [2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane (CID 90108584) is [2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane.
What is the SMILES notation for [2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane?
The canonical SMILES for [2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane is Cc1cccc(P(c2ccccc2P(c2cccc(C)c2C)c2cccc(C)c2C)c2cccc(C)c2C)c1C.
What is the InChIKey of [2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane?
The InChIKey is NIHXGQIVCSRFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40P2/c1-25-15-11-21-33(29(25)5)39(34-22-12-16-26(2)30(34)6)37-19-9-10-20-38(37)40(35-23-13-17-27(3)31(35)7)36-24-14-18-28(4)32(36)8/h9-24H,1-8H3.
What are the key properties of [2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane?
[2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane has a molecular weight of 558.69 g/mol, XLogP of 7.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane is sourced from PubChem (CID 90108584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).