2-bis(4-methylphenyl)phosphanylethyl-bis(4-methylphenyl)phosphane

C30H32P2 — CID 12029122

IUPAC2-bis(4-methylphenyl)phosphanylethyl-bis(4-methylphenyl)phosphane
SMILESCc1ccc(P(CCP(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H32P2/c1-23-5-13-27(14-6-23)31(28-15-7-24(2)8-16-28)21-22-32(29-17-9-25(3)10-18-29)30-19-11-26(4)12-20-30/h5-20H,21-22H2,1-4H3
InChIKeyYQOUWOJPPGRPPW-UHFFFAOYSA-N
MW454.53 g/mol
LogP6.49
Rot. Bonds7

About 2-bis(4-methylphenyl)phosphanylethyl-bis(4-methylphenyl)phosphane

2-bis(4-methylphenyl)phosphanylethyl-bis(4-methylphenyl)phosphane (PubChem CID 12029122) has the molecular formula C30H32P2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-bis(4-methylphenyl)phosphanylethyl-bis(4-methylphenyl)phosphane.

Molecular Properties

Compound Name2-bis(4-methylphenyl)phosphanylethyl-bis(4-methylphenyl)phosphane
PubChem CID12029122
Molecular FormulaC30H32P2
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name2-bis(4-methylphenyl)phosphanylethyl-bis(4-methylphenyl)phosphane
SMILESCc1ccc(P(CCP(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H32P2/c1-23-5-13-27(14-6-23)31(28-15-7-24(2)8-16-28)21-22-32(29-17-9-25(3)10-18-29)30-19-11-26(4)12-20-30/h5-20H,21-22H2,1-4H3
InChIKeyYQOUWOJPPGRPPW-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Benzyltriphenylphosphonium chloride
CID 70671
Phosphine, tris(4-methylphenyl)-
CID 13956
Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
CID 74060
Tris(4-methylphenyl)stibine
CID 79371
Stibene, tri-o-tolyl-
CID 301718
1,2-Bis(diphenylphosphino)ethane
CID 74267
(2-Methylbenzyl)triphenylphosphonium bromide
CID 197738
(p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride
CID 168940
Tri-o-tolylphosphine
CID 80271
Phosphonium, ((4-methylphenyl)methyl)triphenyl-, chloride (1:1)
CID 150925
Phosphonium, ((4-methylphenyl)methyl)triphenyl-, bromide (1:1)
CID 11797662
Tetraphenylethylene
CID 69437

Frequently Asked Questions

What is the IUPAC name of 2-bis(4-methylphenyl)phosphanylethyl-bis(4-methylphenyl)phosphane?
The IUPAC name of 2-bis(4-methylphenyl)phosphanylethyl-bis(4-methylphenyl)phosphane (CID 12029122) is 2-bis(4-methylphenyl)phosphanylethyl-bis(4-methylphenyl)phosphane.
What is the SMILES notation for 2-bis(4-methylphenyl)phosphanylethyl-bis(4-methylphenyl)phosphane?
The canonical SMILES for 2-bis(4-methylphenyl)phosphanylethyl-bis(4-methylphenyl)phosphane is Cc1ccc(P(CCP(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-bis(4-methylphenyl)phosphanylethyl-bis(4-methylphenyl)phosphane?
The InChIKey is YQOUWOJPPGRPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32P2/c1-23-5-13-27(14-6-23)31(28-15-7-24(2)8-16-28)21-22-32(29-17-9-25(3)10-18-29)30-19-11-26(4)12-20-30/h5-20H,21-22H2,1-4H3.
What are the key properties of 2-bis(4-methylphenyl)phosphanylethyl-bis(4-methylphenyl)phosphane?
2-bis(4-methylphenyl)phosphanylethyl-bis(4-methylphenyl)phosphane has a molecular weight of 454.53 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(4-methylphenyl)phosphanylethyl-bis(4-methylphenyl)phosphane is sourced from PubChem (CID 12029122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).