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

C24H28S — CID 158588704

IUPAC1-hexyl-4-(2-phenylphenyl)benzene;sulfane
SMILESCCCCCCc1ccc(-c2ccccc2-c2ccccc2)cc1.S
InChIInChI=1S/C24H26.H2S/c1-2-3-4-6-11-20-16-18-22(19-17-20)24-15-10-9-14-23(24)21-12-7-5-8-13-21;/h5,7-10,12-19H,2-4,6,11H2,1H3;1H2
InChIKeyNSVBITWVPCWMDW-UHFFFAOYSA-N
MW348.56 g/mol
LogP7.26
Rot. Bonds7

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

1-hexyl-4-(2-phenylphenyl)benzene;sulfane (PubChem CID 158588704) has the molecular formula C24H28S and a molecular weight of 348.56 g/mol. Its IUPAC name is 1-hexyl-4-(2-phenylphenyl)benzene;sulfane.

Molecular Properties

Compound Name1-hexyl-4-(2-phenylphenyl)benzene;sulfane
PubChem CID158588704
Molecular FormulaC24H28S
Molecular Weight348.56 g/mol
Exact Mass348.19
IUPAC Name1-hexyl-4-(2-phenylphenyl)benzene;sulfane
SMILESCCCCCCc1ccc(-c2ccccc2-c2ccccc2)cc1.S
InChIInChI=1S/C24H26.H2S/c1-2-3-4-6-11-20-16-18-22(19-17-20)24-15-10-9-14-23(24)21-12-7-5-8-13-21;/h5,7-10,12-19H,2-4,6,11H2,1H3;1H2
InChIKeyNSVBITWVPCWMDW-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.56
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-pentadecyl-4-phenylbenzene
CID 57166115
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
1-iodo-2-(4-octylphenyl)benzene
CID 87323299
dodecylbenzene;sulfane
CID 20560423
4-[2-(4-pentylphenyl)phenyl]benzoic acid
CID 139608159
2-(4-octylphenyl)benzoic acid
CID 23035037
[2-(4-decylphenyl)phenyl]iodanium tetrafluoroborate
CID 87322663
octacosylbenzene
CID 14228596
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-(2-phenylphenyl)benzene;sulfane?
The IUPAC name of 1-hexyl-4-(2-phenylphenyl)benzene;sulfane (CID 158588704) is 1-hexyl-4-(2-phenylphenyl)benzene;sulfane.
What is the SMILES notation for 1-hexyl-4-(2-phenylphenyl)benzene;sulfane?
The canonical SMILES for 1-hexyl-4-(2-phenylphenyl)benzene;sulfane is CCCCCCc1ccc(-c2ccccc2-c2ccccc2)cc1.S.
What is the InChIKey of 1-hexyl-4-(2-phenylphenyl)benzene;sulfane?
The InChIKey is NSVBITWVPCWMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26.H2S/c1-2-3-4-6-11-20-16-18-22(19-17-20)24-15-10-9-14-23(24)21-12-7-5-8-13-21;/h5,7-10,12-19H,2-4,6,11H2,1H3;1H2.
What are the key properties of 1-hexyl-4-(2-phenylphenyl)benzene;sulfane?
1-hexyl-4-(2-phenylphenyl)benzene;sulfane has a molecular weight of 348.56 g/mol, XLogP of 7.26, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-(2-phenylphenyl)benzene;sulfane is sourced from PubChem (CID 158588704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).