[4-[bis(2-methylpropyl)phosphanyl]-2-phenylthiophen-3-yl]-bis(2-methylpropyl)phosphane

C26H42P2S — CID 170552461

IUPAC[4-[bis(2-methylpropyl)phosphanyl]-2-phenylthiophen-3-yl]-bis(2-methylpropyl)phosphane
SMILESCC(C)CP(CC(C)C)c1csc(-c2ccccc2)c1P(CC(C)C)CC(C)C
InChIInChI=1S/C26H42P2S/c1-19(2)14-27(15-20(3)4)24-18-29-26(23-12-10-9-11-13-23)25(24)28(16-21(5)6)17-22(7)8/h9-13,18-22H,14-17H2,1-8H3
InChIKeyWDJUGQIDKSGIQZ-UHFFFAOYSA-N
MW448.64 g/mol
LogP8.25
Rot. Bonds11

About [4-[bis(2-methylpropyl)phosphanyl]-2-phenylthiophen-3-yl]-bis(2-methylpropyl)phosphane

[4-[bis(2-methylpropyl)phosphanyl]-2-phenylthiophen-3-yl]-bis(2-methylpropyl)phosphane (PubChem CID 170552461) has the molecular formula C26H42P2S and a molecular weight of 448.64 g/mol. Its IUPAC name is [4-[bis(2-methylpropyl)phosphanyl]-2-phenylthiophen-3-yl]-bis(2-methylpropyl)phosphane.

Molecular Properties

Compound Name[4-[bis(2-methylpropyl)phosphanyl]-2-phenylthiophen-3-yl]-bis(2-methylpropyl)phosphane
PubChem CID170552461
Molecular FormulaC26H42P2S
Molecular Weight448.64 g/mol
Exact Mass448.25
IUPAC Name[4-[bis(2-methylpropyl)phosphanyl]-2-phenylthiophen-3-yl]-bis(2-methylpropyl)phosphane
SMILESCC(C)CP(CC(C)C)c1csc(-c2ccccc2)c1P(CC(C)C)CC(C)C
InChIInChI=1S/C26H42P2S/c1-19(2)14-27(15-20(3)4)24-18-29-26(23-12-10-9-11-13-23)25(24)28(16-21(5)6)17-22(7)8/h9-13,18-22H,14-17H2,1-8H3
InChIKeyWDJUGQIDKSGIQZ-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.64
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-diethylphosphanyl-2-phenylthiophen-3-yl)-diethylphosphane
CID 170552435
2-phenyl-3-(2-phenylthiophen-3-yl)sulfanylthiophene
CID 54495685
N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine
CID 114748967
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 79819598
1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride
CID 21478143
(2R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride
CID 67771453
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
diphenyl-[(2R)-2-(2-phenyl-1,3-thiazol-4-yl)propyl]phosphane
CID 24766068
ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 143921758
1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene
CID 156552741
bis(2-methylpropyl)-[2-(2,4,6-tripropylphenyl)phenyl]phosphane
CID 126673786

Frequently Asked Questions

What is the IUPAC name of [4-[bis(2-methylpropyl)phosphanyl]-2-phenylthiophen-3-yl]-bis(2-methylpropyl)phosphane?
The IUPAC name of [4-[bis(2-methylpropyl)phosphanyl]-2-phenylthiophen-3-yl]-bis(2-methylpropyl)phosphane (CID 170552461) is [4-[bis(2-methylpropyl)phosphanyl]-2-phenylthiophen-3-yl]-bis(2-methylpropyl)phosphane.
What is the SMILES notation for [4-[bis(2-methylpropyl)phosphanyl]-2-phenylthiophen-3-yl]-bis(2-methylpropyl)phosphane?
The canonical SMILES for [4-[bis(2-methylpropyl)phosphanyl]-2-phenylthiophen-3-yl]-bis(2-methylpropyl)phosphane is CC(C)CP(CC(C)C)c1csc(-c2ccccc2)c1P(CC(C)C)CC(C)C.
What is the InChIKey of [4-[bis(2-methylpropyl)phosphanyl]-2-phenylthiophen-3-yl]-bis(2-methylpropyl)phosphane?
The InChIKey is WDJUGQIDKSGIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42P2S/c1-19(2)14-27(15-20(3)4)24-18-29-26(23-12-10-9-11-13-23)25(24)28(16-21(5)6)17-22(7)8/h9-13,18-22H,14-17H2,1-8H3.
What are the key properties of [4-[bis(2-methylpropyl)phosphanyl]-2-phenylthiophen-3-yl]-bis(2-methylpropyl)phosphane?
[4-[bis(2-methylpropyl)phosphanyl]-2-phenylthiophen-3-yl]-bis(2-methylpropyl)phosphane has a molecular weight of 448.64 g/mol, XLogP of 8.25, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(2-methylpropyl)phosphanyl]-2-phenylthiophen-3-yl]-bis(2-methylpropyl)phosphane is sourced from PubChem (CID 170552461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).