(5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane

C42H40P2 — CID 23403284

IUPAC(5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane
SMILESCC(C(c1ccccc1)C(c1ccccc1)C(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H40P2/c1-33(43(37-25-13-5-14-26-37)38-27-15-6-16-28-38)41(35-21-9-3-10-22-35)42(36-23-11-4-12-24-36)34(2)44(39-29-17-7-18-30-39)40-31-19-8-20-32-40/h3-34,41-42H,1-2H3
InChIKeyQPTWWZCIPBURTF-UHFFFAOYSA-N
MW606.73 g/mol
LogP9.60
Rot. Bonds11

About (5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane

(5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane (PubChem CID 23403284) has the molecular formula C42H40P2 and a molecular weight of 606.73 g/mol. Its IUPAC name is (5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane.

Molecular Properties

Compound Name(5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane
PubChem CID23403284
Molecular FormulaC42H40P2
Molecular Weight606.73 g/mol
Exact Mass606.26
IUPAC Name(5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane
SMILESCC(C(c1ccccc1)C(c1ccccc1)C(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H40P2/c1-33(43(37-25-13-5-14-26-37)38-27-15-6-16-28-38)41(35-21-9-3-10-22-35)42(36-23-11-4-12-24-36)34(2)44(39-29-17-7-18-30-39)40-31-19-8-20-32-40/h3-34,41-42H,1-2H3
InChIKeyQPTWWZCIPBURTF-UHFFFAOYSA-N
XLogP9.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.73
LogP ≤ 59.60
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

[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946
dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 88642037
[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;perchloric acid
CID 157197729
[(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane
CID 46216943
3-(1-diphenylphosphanylethyl)aniline
CID 151885183
(2-bromophenyl)-phenyl-propan-2-ylphosphane
CID 62705964
2-diphenylphosphanylpropanoic acid
CID 14902743
bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
CID 11446268
(3-methyl-1,1-diphenylbutan-2-yl)benzene
CID 91598963
1-phenylethylbenzene
CID 11918
cumene
CID 161227923

Frequently Asked Questions

What is the IUPAC name of (5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane?
The IUPAC name of (5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane (CID 23403284) is (5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane.
What is the SMILES notation for (5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane?
The canonical SMILES for (5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane is CC(C(c1ccccc1)C(c1ccccc1)C(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane?
The InChIKey is QPTWWZCIPBURTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40P2/c1-33(43(37-25-13-5-14-26-37)38-27-15-6-16-28-38)41(35-21-9-3-10-22-35)42(36-23-11-4-12-24-36)34(2)44(39-29-17-7-18-30-39)40-31-19-8-20-32-40/h3-34,41-42H,1-2H3.
What are the key properties of (5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane?
(5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane has a molecular weight of 606.73 g/mol, XLogP of 9.60, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane is sourced from PubChem (CID 23403284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).