ethane;fluoromethane;pentakis(1-[4-(4-fluoro-3-methylphenyl)phenyl]-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5,6-tetraphenylbenzene);bis(1,1,1-trifluoroethane)

C312H275F37 — CID 160858375

About ethane;fluoromethane;pentakis(1-[4-(4-fluoro-3-methylphenyl)phenyl]-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5,6-tetraphenylbenzene);bis(1,1,1-trifluoroethane)

ethane;fluoromethane;pentakis(1-[4-(4-fluoro-3-methylphenyl)phenyl]-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5,6-tetraphenylbenzene);bis(1,1,1-trifluoroethane) (PubChem CID 160858375) has the molecular formula C312H275F37 and a molecular weight of 4727.56 g/mol. Its IUPAC name is ethane;fluoromethane;pentakis(1-[4-(4-fluoro-3-methylphenyl)phenyl]-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5,6-tetraphenylbenzene);bis(1,1,1-trifluoroethane).

Molecular Properties

• Compound Name: ethane;fluoromethane;pentakis(1-[4-(4-fluoro-3-methylphenyl)phenyl]-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5,6-tetraphenylbenzene);bis(1,1,1-trifluoroethane)
• PubChem CID: 160858375
• Molecular Formula: C312H275F37
• Molecular Weight: 4727.56 g/mol
• Exact Mass: 4724.09
• IUPAC Name: ethane;fluoromethane;pentakis(1-[4-(4-fluoro-3-methylphenyl)phenyl]-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5,6-tetraphenylbenzene);bis(1,1,1-trifluoroethane)
• SMILES: CC.CC.CC.CC.CC.CC.CC(F)(F)F.CC(F)(F)F.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.Cc1cc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F
• InChI: InChI=1S/5C57H40F4.2C2H3F3.6C2H6.11CH3F/c5*1-37-23-24-48(36-49(37)57(59,60)61)40-27-31-46(32-28-40)56-53(43-19-11-5-12-20-43)51(41-15-7-3-8-16-41)55(45-29-25-39(26-30-45)47-33-34-50(58)38(2)35-47)52(42-17-9-4-10-18-42)54(56)44-21-13-6-14-22-44;2*1-2(3,4)5;17*1-2/h5*3-36H,1-2H3;2*1H3;6*1-2H3;11*1H3
• InChIKey: SKDWHOHTBDNQQR-UHFFFAOYSA-N
• XLogP: 99.72
• TPSA: 0.00 Ų
• Rotatable Bonds: 40
• Heavy Atoms: 349
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	4727.56
LogP ≤ 5	99.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of ethane;fluoromethane;pentakis(1-[4-(4-fluoro-3-methylphenyl)phenyl]-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5,6-tetraphenylbenzene);bis(1,1,1-trifluoroethane)?

The IUPAC name of ethane;fluoromethane;pentakis(1-[4-(4-fluoro-3-methylphenyl)phenyl]-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5,6-tetraphenylbenzene);bis(1,1,1-trifluoroethane) (CID 160858375) is ethane;fluoromethane;pentakis(1-[4-(4-fluoro-3-methylphenyl)phenyl]-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5,6-tetraphenylbenzene);bis(1,1,1-trifluoroethane).

What is the SMILES notation for ethane;fluoromethane;pentakis(1-[4-(4-fluoro-3-methylphenyl)phenyl]-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5,6-tetraphenylbenzene);bis(1,1,1-trifluoroethane)?

The canonical SMILES for ethane;fluoromethane;pentakis(1-[4-(4-fluoro-3-methylphenyl)phenyl]-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5,6-tetraphenylbenzene);bis(1,1,1-trifluoroethane) is CC.CC.CC.CC.CC.CC.CC(F)(F)F.CC(F)(F)F.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.Cc1cc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.Cc1cc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)ccc1F.

What is the InChIKey of ethane;fluoromethane;pentakis(1-[4-(4-fluoro-3-methylphenyl)phenyl]-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5,6-tetraphenylbenzene);bis(1,1,1-trifluoroethane)?

The InChIKey is SKDWHOHTBDNQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/5C57H40F4.2C2H3F3.6C2H6.11CH3F/c5*1-37-23-24-48(36-49(37)57(59,60)61)40-27-31-46(32-28-40)56-53(43-19-11-5-12-20-43)51(41-15-7-3-8-16-41)55(45-29-25-39(26-30-45)47-33-34-50(58)38(2)35-47)52(42-17-9-4-10-18-42)54(56)44-21-13-6-14-22-44;2*1-2(3,4)5;17*1-2/h5*3-36H,1-2H3;2*1H3;6*1-2H3;11*1H3.

What are the key properties of ethane;fluoromethane;pentakis(1-[4-(4-fluoro-3-methylphenyl)phenyl]-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5,6-tetraphenylbenzene);bis(1,1,1-trifluoroethane)?

ethane;fluoromethane;pentakis(1-[4-(4-fluoro-3-methylphenyl)phenyl]-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5,6-tetraphenylbenzene);bis(1,1,1-trifluoroethane) has a molecular weight of 4727.56 g/mol, XLogP of 99.72, 40 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;fluoromethane;pentakis(1-[4-(4-fluoro-3-methylphenyl)phenyl]-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5,6-tetraphenylbenzene);bis(1,1,1-trifluoroethane) is sourced from PubChem (CID 160858375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).