(4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane

C32H28P2 — CID 141372825

IUPAC(4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane
SMILESCc1ccc(P(c2ccccc2)c2ccc(P(c3ccccc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C32H28P2/c1-25-13-17-29(18-14-25)33(27-9-5-3-6-10-27)31-21-23-32(24-22-31)34(28-11-7-4-8-12-28)30-19-15-26(2)16-20-30/h3-24H,1-2H3
InChIKeyDNZUNHBSQBWNLT-UHFFFAOYSA-N
MW474.52 g/mol
LogP5.82
Rot. Bonds6

About (4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane

(4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane (PubChem CID 141372825) has the molecular formula C32H28P2 and a molecular weight of 474.52 g/mol. Its IUPAC name is (4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane.

Molecular Properties

Compound Name(4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane
PubChem CID141372825
Molecular FormulaC32H28P2
Molecular Weight474.52 g/mol
Exact Mass474.17
IUPAC Name(4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane
SMILESCc1ccc(P(c2ccccc2)c2ccc(P(c3ccccc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C32H28P2/c1-25-13-17-29(18-14-25)33(27-9-5-3-6-10-27)31-21-23-32(24-22-31)34(28-11-7-4-8-12-28)30-19-15-26(2)16-20-30/h3-24H,1-2H3
InChIKeyDNZUNHBSQBWNLT-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 55.82
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

ethane;tris(4-methylphenyl)phosphane
CID 145151678
platinum;tris(tris(4-methylphenyl)phosphane)
CID 71361072
cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride
CID 161245317
ethane;triphenylphosphane
CID 90942156
triphenylphosphane
CID 139056248
diiodopalladium;bis(tris(4-methylphenyl)phosphane)
CID 23037656
ethynylbenzene;gold(1+);tris(4-methylphenyl)phosphane
CID 134901624
plutonium;triphenylphosphane
CID 161300359
silane;triphenylphosphane
CID 161037280
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
copper monohydride;hexakis(triphenylphosphane)
CID 134992255

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane?
The IUPAC name of (4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane (CID 141372825) is (4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane.
What is the SMILES notation for (4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane?
The canonical SMILES for (4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane is Cc1ccc(P(c2ccccc2)c2ccc(P(c3ccccc3)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane?
The InChIKey is DNZUNHBSQBWNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28P2/c1-25-13-17-29(18-14-25)33(27-9-5-3-6-10-27)31-21-23-32(24-22-31)34(28-11-7-4-8-12-28)30-19-15-26(2)16-20-30/h3-24H,1-2H3.
What are the key properties of (4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane?
(4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane has a molecular weight of 474.52 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane is sourced from PubChem (CID 141372825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).