1-[3,5-bis[[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]sulfanyl]phenyl]sulfanyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene

C45H12F24S3 — CID 155020131

IUPAC1-[3,5-bis[[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]sulfanyl]phenyl]sulfanyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene
SMILESCc1c(F)c(F)c(-c2c(F)c(F)c(Sc3cc(Sc4c(F)c(F)c(-c5c(F)c(F)c(C)c(F)c5F)c(F)c4F)cc(Sc4c(F)c(F)c(-c5c(F)c(F)c(C)c(F)c5F)c(F)c4F)c3)c(F)c2F)c(F)c1F
InChIInChI=1S/C45H12F24S3/c1-7-19(46)25(52)13(26(53)20(7)47)16-31(58)37(64)43(38(65)32(16)59)70-10-4-11(71-44-39(66)33(60)17(34(61)40(44)67)14-27(54)21(48)8(2)22(49)28(14)55)6-12(5-10)72-45-41(68)35(62)18(36(63)42(45)69)15-29(56)23(50)9(3)24(51)30(15)57/h4-6H,1-3H3
InChIKeyQTVNSQYUVFDWNU-UHFFFAOYSA-N
MW1104.74 g/mol
LogP17.40
Rot. Bonds9

About 1-[3,5-bis[[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]sulfanyl]phenyl]sulfanyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene

1-[3,5-bis[[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]sulfanyl]phenyl]sulfanyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene (PubChem CID 155020131) has the molecular formula C45H12F24S3 and a molecular weight of 1104.74 g/mol. Its IUPAC name is 1-[3,5-bis[[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]sulfanyl]phenyl]sulfanyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene.

Molecular Properties

Compound Name1-[3,5-bis[[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]sulfanyl]phenyl]sulfanyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene
PubChem CID155020131
Molecular FormulaC45H12F24S3
Molecular Weight1104.74 g/mol
Exact Mass1103.97
IUPAC Name1-[3,5-bis[[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]sulfanyl]phenyl]sulfanyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene
SMILESCc1c(F)c(F)c(-c2c(F)c(F)c(Sc3cc(Sc4c(F)c(F)c(-c5c(F)c(F)c(C)c(F)c5F)c(F)c4F)cc(Sc4c(F)c(F)c(-c5c(F)c(F)c(C)c(F)c5F)c(F)c4F)c3)c(F)c2F)c(F)c1F
InChIInChI=1S/C45H12F24S3/c1-7-19(46)25(52)13(26(53)20(7)47)16-31(58)37(64)43(38(65)32(16)59)70-10-4-11(71-44-39(66)33(60)17(34(61)40(44)67)14-27(54)21(48)8(2)22(49)28(14)55)6-12(5-10)72-45-41(68)35(62)18(36(63)42(45)69)15-29(56)23(50)9(3)24(51)30(15)57/h4-6H,1-3H3
InChIKeyQTVNSQYUVFDWNU-UHFFFAOYSA-N
XLogP17.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001104.74
LogP ≤ 517.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-[3,5-bis[[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]sulfanyl]phenyl]sulfanyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis[[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]sulfanyl]phenyl]sulfanyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene?
The IUPAC name of 1-[3,5-bis[[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]sulfanyl]phenyl]sulfanyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene (CID 155020131) is 1-[3,5-bis[[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]sulfanyl]phenyl]sulfanyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene.
What is the SMILES notation for 1-[3,5-bis[[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]sulfanyl]phenyl]sulfanyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene?
The canonical SMILES for 1-[3,5-bis[[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]sulfanyl]phenyl]sulfanyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene is Cc1c(F)c(F)c(-c2c(F)c(F)c(Sc3cc(Sc4c(F)c(F)c(-c5c(F)c(F)c(C)c(F)c5F)c(F)c4F)cc(Sc4c(F)c(F)c(-c5c(F)c(F)c(C)c(F)c5F)c(F)c4F)c3)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-[3,5-bis[[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]sulfanyl]phenyl]sulfanyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene?
The InChIKey is QTVNSQYUVFDWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H12F24S3/c1-7-19(46)25(52)13(26(53)20(7)47)16-31(58)37(64)43(38(65)32(16)59)70-10-4-11(71-44-39(66)33(60)17(34(61)40(44)67)14-27(54)21(48)8(2)22(49)28(14)55)6-12(5-10)72-45-41(68)35(62)18(36(63)42(45)69)15-29(56)23(50)9(3)24(51)30(15)57/h4-6H,1-3H3.
What are the key properties of 1-[3,5-bis[[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]sulfanyl]phenyl]sulfanyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene?
1-[3,5-bis[[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]sulfanyl]phenyl]sulfanyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene has a molecular weight of 1104.74 g/mol, XLogP of 17.40, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis[[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]sulfanyl]phenyl]sulfanyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene is sourced from PubChem (CID 155020131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).