benzene;benzylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;tritylbenzene

C178H290F6OS — CID 159287991

About benzene;benzylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;tritylbenzene

benzene;benzylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;tritylbenzene (PubChem CID 159287991) has the molecular formula C178H290F6OS and a molecular weight of 2592.33 g/mol. Its IUPAC name is benzene;benzylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;tritylbenzene.

Molecular Properties

• Compound Name: benzene;benzylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;tritylbenzene
• PubChem CID: 159287991
• Molecular Formula: C178H290F6OS
• Molecular Weight: 2592.33 g/mol
• Exact Mass: 2590.23
• IUPAC Name: benzene;benzylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;tritylbenzene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.c1ccccc1
• InChI: InChI=1S/C25H20.C18H20.C15H10F6.C15H16.C13H12.C12H10O.C12H10S.C6H6.31C2H6/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-6-5-3-1;31*1-2/h1-20H;1-2,4-7,10-13H,3,8-9,14-15H2;1-10H;3-12H,1-2H3;1-10H,11H2;2*1-10H;1-6H;31*1-2H3
• InChIKey: KZTFYKUNGYSBIY-UHFFFAOYSA-N
• XLogP: 64.21
• TPSA: 9.23 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 16
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2592.33
LogP ≤ 5	64.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzene;benzylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;tritylbenzene?

The IUPAC name of benzene;benzylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;tritylbenzene (CID 159287991) is benzene;benzylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;tritylbenzene.

What is the SMILES notation for benzene;benzylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;tritylbenzene?

The canonical SMILES for benzene;benzylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;tritylbenzene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.c1ccccc1.

What is the InChIKey of benzene;benzylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;tritylbenzene?

The InChIKey is KZTFYKUNGYSBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20.C18H20.C15H10F6.C15H16.C13H12.C12H10O.C12H10S.C6H6.31C2H6/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-6-5-3-1;31*1-2/h1-20H;1-2,4-7,10-13H,3,8-9,14-15H2;1-10H;3-12H,1-2H3;1-10H,11H2;2*1-10H;1-6H;31*1-2H3.

What are the key properties of benzene;benzylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;tritylbenzene?

benzene;benzylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;tritylbenzene has a molecular weight of 2592.33 g/mol, XLogP of 64.21, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;benzylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;tritylbenzene is sourced from PubChem (CID 159287991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).