4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene

C68H52F6O8S2 — CID 58291356

IUPAC4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene
SMILESCOc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)cc8)cc7)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4)cc3)c(-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C68H52F6O8S2/c1-45-15-33-57(34-16-45)83(75,76)58-35-27-54(28-36-58)80-52-23-17-48(18-24-52)66(67(69,70)71,68(72,73)74)49-19-25-53(26-20-49)81-55-29-37-59(38-30-55)84(77,78)60-39-31-56(32-40-60)82-64-42-22-51(44-62(64)47-13-9-6-10-14-47)65(2,3)50-21-41-63(79-4)61(43-50)46-11-7-5-8-12-46/h5-44H,1-4H3
InChIKeyBZMUTDPBRFZIPE-UHFFFAOYSA-N
MW1175.28 g/mol
LogP18.12
Rot. Bonds17

About 4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene

4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene (PubChem CID 58291356) has the molecular formula C68H52F6O8S2 and a molecular weight of 1175.28 g/mol. Its IUPAC name is 4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene.

Molecular Properties

Compound Name4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene
PubChem CID58291356
Molecular FormulaC68H52F6O8S2
Molecular Weight1175.28 g/mol
Exact Mass1174.30
IUPAC Name4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene
SMILESCOc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)cc8)cc7)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4)cc3)c(-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C68H52F6O8S2/c1-45-15-33-57(34-16-45)83(75,76)58-35-27-54(28-36-58)80-52-23-17-48(18-24-52)66(67(69,70)71,68(72,73)74)49-19-25-53(26-20-49)81-55-29-37-59(38-30-55)84(77,78)60-39-31-56(32-40-60)82-64-42-22-51(44-62(64)47-13-9-6-10-14-47)65(2,3)50-21-41-63(79-4)61(43-50)46-11-7-5-8-12-46/h5-44H,1-4H3
InChIKeyBZMUTDPBRFZIPE-UHFFFAOYSA-N
XLogP18.12
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001175.28
LogP ≤ 518.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene?
The IUPAC name of 4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene (CID 58291356) is 4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene.
What is the SMILES notation for 4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene?
The canonical SMILES for 4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene is COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)cc8)cc7)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4)cc3)c(-c3ccccc3)c2)cc1-c1ccccc1.
What is the InChIKey of 4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene?
The InChIKey is BZMUTDPBRFZIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H52F6O8S2/c1-45-15-33-57(34-16-45)83(75,76)58-35-27-54(28-36-58)80-52-23-17-48(18-24-52)66(67(69,70)71,68(72,73)74)49-19-25-53(26-20-49)81-55-29-37-59(38-30-55)84(77,78)60-39-31-56(32-40-60)82-64-42-22-51(44-62(64)47-13-9-6-10-14-47)65(2,3)50-21-41-63(79-4)61(43-50)46-11-7-5-8-12-46/h5-44H,1-4H3.
What are the key properties of 4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene?
4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene has a molecular weight of 1175.28 g/mol, XLogP of 18.12, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene is sourced from PubChem (CID 58291356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).