(2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane

C29H30P2 — CID 18962661

IUPAC(2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane
SMILESCc1ccccc1P(CCCP(c1ccccc1)c1ccccc1C)c1ccccc1
InChIInChI=1S/C29H30P2/c1-24-14-9-11-20-28(24)30(26-16-5-3-6-17-26)22-13-23-31(27-18-7-4-8-19-27)29-21-12-10-15-25(29)2/h3-12,14-21H,13,22-23H2,1-2H3
InChIKeyDTQFVLUUTMBHRH-UHFFFAOYSA-N
MW440.51 g/mol
LogP6.26
Rot. Bonds8

About (2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane

(2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane (PubChem CID 18962661) has the molecular formula C29H30P2 and a molecular weight of 440.51 g/mol. Its IUPAC name is (2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane.

Molecular Properties

Compound Name(2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane
PubChem CID18962661
Molecular FormulaC29H30P2
Molecular Weight440.51 g/mol
Exact Mass440.18
IUPAC Name(2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane
SMILESCc1ccccc1P(CCCP(c1ccccc1)c1ccccc1C)c1ccccc1
InChIInChI=1S/C29H30P2/c1-24-14-9-11-20-28(24)30(26-16-5-3-6-17-26)22-13-23-31(27-18-7-4-8-19-27)29-21-12-10-15-25(29)2/h3-12,14-21H,13,22-23H2,1-2H3
InChIKeyDTQFVLUUTMBHRH-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 56.26
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-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane?
The IUPAC name of (2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane (CID 18962661) is (2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane.
What is the SMILES notation for (2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane?
The canonical SMILES for (2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane is Cc1ccccc1P(CCCP(c1ccccc1)c1ccccc1C)c1ccccc1.
What is the InChIKey of (2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane?
The InChIKey is DTQFVLUUTMBHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30P2/c1-24-14-9-11-20-28(24)30(26-16-5-3-6-17-26)22-13-23-31(27-18-7-4-8-19-27)29-21-12-10-15-25(29)2/h3-12,14-21H,13,22-23H2,1-2H3.
What are the key properties of (2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane?
(2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane has a molecular weight of 440.51 g/mol, XLogP of 6.26, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane is sourced from PubChem (CID 18962661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).