6-(4-phenylphenyl)hexan-3-ylphosphane

C18H23P — CID 90991744

IUPAC6-(4-phenylphenyl)hexan-3-ylphosphane
SMILESCCC(P)CCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23P/c1-2-18(19)10-6-7-15-11-13-17(14-12-15)16-8-4-3-5-9-16/h3-5,8-9,11-14,18H,2,6-7,10,19H2,1H3
InChIKeyYISXTQRCDQLNKM-UHFFFAOYSA-N
MW270.36 g/mol
LogP5.33
Rot. Bonds6

About 6-(4-phenylphenyl)hexan-3-ylphosphane

6-(4-phenylphenyl)hexan-3-ylphosphane (PubChem CID 90991744) has the molecular formula C18H23P and a molecular weight of 270.36 g/mol. Its IUPAC name is 6-(4-phenylphenyl)hexan-3-ylphosphane.

Molecular Properties

Compound Name6-(4-phenylphenyl)hexan-3-ylphosphane
PubChem CID90991744
Molecular FormulaC18H23P
Molecular Weight270.36 g/mol
Exact Mass270.15
IUPAC Name6-(4-phenylphenyl)hexan-3-ylphosphane
SMILESCCC(P)CCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23P/c1-2-18(19)10-6-7-15-11-13-17(14-12-15)16-8-4-3-5-9-16/h3-5,8-9,11-14,18H,2,6-7,10,19H2,1H3
InChIKeyYISXTQRCDQLNKM-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.36
LogP ≤ 55.33
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

2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 56631136
1-butyl-4-phenylbenzene;ethane
CID 143743409
1-pentadecyl-4-phenylbenzene
CID 57166115
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene
CID 144519167
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
magnesium;1-phenyl-4-propylbenzene;bromide
CID 172966719
N,N-dimethyl-5-phenylpentan-2-amine
CID 12951765
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
1-(3-bromohexyl)-4-phenylbenzene
CID 65456285
1,4-bis(4-methylhexyl)benzene
CID 145016441
4-(4-phenylphenyl)butan-1-ol
CID 11970468

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylphenyl)hexan-3-ylphosphane?
The IUPAC name of 6-(4-phenylphenyl)hexan-3-ylphosphane (CID 90991744) is 6-(4-phenylphenyl)hexan-3-ylphosphane.
What is the SMILES notation for 6-(4-phenylphenyl)hexan-3-ylphosphane?
The canonical SMILES for 6-(4-phenylphenyl)hexan-3-ylphosphane is CCC(P)CCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-(4-phenylphenyl)hexan-3-ylphosphane?
The InChIKey is YISXTQRCDQLNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23P/c1-2-18(19)10-6-7-15-11-13-17(14-12-15)16-8-4-3-5-9-16/h3-5,8-9,11-14,18H,2,6-7,10,19H2,1H3.
What are the key properties of 6-(4-phenylphenyl)hexan-3-ylphosphane?
6-(4-phenylphenyl)hexan-3-ylphosphane has a molecular weight of 270.36 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylphenyl)hexan-3-ylphosphane is sourced from PubChem (CID 90991744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).