1-ethyl-4-(2-phenylphenyl)benzene;sulfane

C20H20S — CID 160558702

IUPAC1-ethyl-4-(2-phenylphenyl)benzene;sulfane
SMILESCCc1ccc(-c2ccccc2-c2ccccc2)cc1.S
InChIInChI=1S/C20H18.H2S/c1-2-16-12-14-18(15-13-16)20-11-7-6-10-19(20)17-8-4-3-5-9-17;/h3-15H,2H2,1H3;1H2
InChIKeyZDPGGLWRKKBWNL-UHFFFAOYSA-N
MW292.45 g/mol
LogP5.70
Rot. Bonds3

About 1-ethyl-4-(2-phenylphenyl)benzene;sulfane

1-ethyl-4-(2-phenylphenyl)benzene;sulfane (PubChem CID 160558702) has the molecular formula C20H20S and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-ethyl-4-(2-phenylphenyl)benzene;sulfane.

Molecular Properties

Compound Name1-ethyl-4-(2-phenylphenyl)benzene;sulfane
PubChem CID160558702
Molecular FormulaC20H20S
Molecular Weight292.45 g/mol
Exact Mass292.13
IUPAC Name1-ethyl-4-(2-phenylphenyl)benzene;sulfane
SMILESCCc1ccc(-c2ccccc2-c2ccccc2)cc1.S
InChIInChI=1S/C20H18.H2S/c1-2-16-12-14-18(15-13-16)20-11-7-6-10-19(20)17-8-4-3-5-9-17;/h3-15H,2H2,1H3;1H2
InChIKeyZDPGGLWRKKBWNL-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.45
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-[2-(4-ethylphenyl)phenyl]benzene
CID 166659313
ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
acetylene;1-ethyl-4-phenylbenzene
CID 175126841
2-[2-(4-ethylphenyl)phenyl]aniline
CID 150274676
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
CID 175075360
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857
4-(4-ethylphenyl)-3-phenylbenzonitrile
CID 46864016
ethane;1-(4-ethylphenyl)naphthalene
CID 143262541
4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline
CID 59228323
ethylcyclodecapentaene
CID 90861705

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-phenylphenyl)benzene;sulfane?
The IUPAC name of 1-ethyl-4-(2-phenylphenyl)benzene;sulfane (CID 160558702) is 1-ethyl-4-(2-phenylphenyl)benzene;sulfane.
What is the SMILES notation for 1-ethyl-4-(2-phenylphenyl)benzene;sulfane?
The canonical SMILES for 1-ethyl-4-(2-phenylphenyl)benzene;sulfane is CCc1ccc(-c2ccccc2-c2ccccc2)cc1.S.
What is the InChIKey of 1-ethyl-4-(2-phenylphenyl)benzene;sulfane?
The InChIKey is ZDPGGLWRKKBWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.H2S/c1-2-16-12-14-18(15-13-16)20-11-7-6-10-19(20)17-8-4-3-5-9-17;/h3-15H,2H2,1H3;1H2.
What are the key properties of 1-ethyl-4-(2-phenylphenyl)benzene;sulfane?
1-ethyl-4-(2-phenylphenyl)benzene;sulfane has a molecular weight of 292.45 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-phenylphenyl)benzene;sulfane is sourced from PubChem (CID 160558702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).