1-bromo-3-[4-[4-(3-bromophenyl)phenyl]sulfanylphenyl]benzene

C24H16Br2S — CID 68581220

IUPAC1-bromo-3-[4-[4-(3-bromophenyl)phenyl]sulfanylphenyl]benzene
SMILESBrc1cccc(-c2ccc(Sc3ccc(-c4cccc(Br)c4)cc3)cc2)c1
InChIInChI=1S/C24H16Br2S/c25-21-5-1-3-19(15-21)17-7-11-23(12-8-17)27-24-13-9-18(10-14-24)20-4-2-6-22(26)16-20/h1-16H
InChIKeyYRKHJLDMQRBSOE-UHFFFAOYSA-N
MW496.27 g/mol
LogP8.70
Rot. Bonds4

About 1-bromo-3-[4-[4-(3-bromophenyl)phenyl]sulfanylphenyl]benzene

1-bromo-3-[4-[4-(3-bromophenyl)phenyl]sulfanylphenyl]benzene (PubChem CID 68581220) has the molecular formula C24H16Br2S and a molecular weight of 496.27 g/mol. Its IUPAC name is 1-bromo-3-[4-[4-(3-bromophenyl)phenyl]sulfanylphenyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[4-[4-(3-bromophenyl)phenyl]sulfanylphenyl]benzene
PubChem CID68581220
Molecular FormulaC24H16Br2S
Molecular Weight496.27 g/mol
Exact Mass493.93
IUPAC Name1-bromo-3-[4-[4-(3-bromophenyl)phenyl]sulfanylphenyl]benzene
SMILESBrc1cccc(-c2ccc(Sc3ccc(-c4cccc(Br)c4)cc3)cc2)c1
InChIInChI=1S/C24H16Br2S/c25-21-5-1-3-19(15-21)17-7-11-23(12-8-17)27-24-13-9-18(10-14-24)20-4-2-6-22(26)16-20/h1-16H
InChIKeyYRKHJLDMQRBSOE-UHFFFAOYSA-N
XLogP8.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.27
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[4-[4-(3-bromophenyl)phenyl]sulfanylphenyl]benzene?
The IUPAC name of 1-bromo-3-[4-[4-(3-bromophenyl)phenyl]sulfanylphenyl]benzene (CID 68581220) is 1-bromo-3-[4-[4-(3-bromophenyl)phenyl]sulfanylphenyl]benzene.
What is the SMILES notation for 1-bromo-3-[4-[4-(3-bromophenyl)phenyl]sulfanylphenyl]benzene?
The canonical SMILES for 1-bromo-3-[4-[4-(3-bromophenyl)phenyl]sulfanylphenyl]benzene is Brc1cccc(-c2ccc(Sc3ccc(-c4cccc(Br)c4)cc3)cc2)c1.
What is the InChIKey of 1-bromo-3-[4-[4-(3-bromophenyl)phenyl]sulfanylphenyl]benzene?
The InChIKey is YRKHJLDMQRBSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br2S/c25-21-5-1-3-19(15-21)17-7-11-23(12-8-17)27-24-13-9-18(10-14-24)20-4-2-6-22(26)16-20/h1-16H.
What are the key properties of 1-bromo-3-[4-[4-(3-bromophenyl)phenyl]sulfanylphenyl]benzene?
1-bromo-3-[4-[4-(3-bromophenyl)phenyl]sulfanylphenyl]benzene has a molecular weight of 496.27 g/mol, XLogP of 8.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[4-[4-(3-bromophenyl)phenyl]sulfanylphenyl]benzene is sourced from PubChem (CID 68581220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).