1,3,5-tris[4-[(Z)-2-bromoethenyl]phenyl]benzene

C30H21Br3 — CID 11614249

IUPAC1,3,5-tris[4-[(Z)-2-bromoethenyl]phenyl]benzene
SMILESBr/C=C\c1ccc(-c2cc(-c3ccc(/C=C\Br)cc3)cc(-c3ccc(/C=C\Br)cc3)c2)cc1
InChIInChI=1S/C30H21Br3/c31-16-13-22-1-7-25(8-2-22)28-19-29(26-9-3-23(4-10-26)14-17-32)21-30(20-28)27-11-5-24(6-12-27)15-18-33/h1-21H/b16-13-,17-14-,18-15-
InChIKeyYQRLMSFISSZFGM-WLFVLELZSA-N
MW621.21 g/mol
LogP10.78
Rot. Bonds6

About 1,3,5-tris[4-[(Z)-2-bromoethenyl]phenyl]benzene

1,3,5-tris[4-[(Z)-2-bromoethenyl]phenyl]benzene (PubChem CID 11614249) has the molecular formula C30H21Br3 and a molecular weight of 621.21 g/mol. Its IUPAC name is 1,3,5-tris[4-[(Z)-2-bromoethenyl]phenyl]benzene.

Molecular Properties

Compound Name1,3,5-tris[4-[(Z)-2-bromoethenyl]phenyl]benzene
PubChem CID11614249
Molecular FormulaC30H21Br3
Molecular Weight621.21 g/mol
Exact Mass617.92
IUPAC Name1,3,5-tris[4-[(Z)-2-bromoethenyl]phenyl]benzene
SMILESBr/C=C\c1ccc(-c2cc(-c3ccc(/C=C\Br)cc3)cc(-c3ccc(/C=C\Br)cc3)c2)cc1
InChIInChI=1S/C30H21Br3/c31-16-13-22-1-7-25(8-2-22)28-19-29(26-9-3-23(4-10-26)14-17-32)21-30(20-28)27-11-5-24(6-12-27)15-18-33/h1-21H/b16-13-,17-14-,18-15-
InChIKeyYQRLMSFISSZFGM-WLFVLELZSA-N
XLogP10.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.21
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[4-[(Z)-2-bromoethenyl]phenyl]benzene?
The IUPAC name of 1,3,5-tris[4-[(Z)-2-bromoethenyl]phenyl]benzene (CID 11614249) is 1,3,5-tris[4-[(Z)-2-bromoethenyl]phenyl]benzene.
What is the SMILES notation for 1,3,5-tris[4-[(Z)-2-bromoethenyl]phenyl]benzene?
The canonical SMILES for 1,3,5-tris[4-[(Z)-2-bromoethenyl]phenyl]benzene is Br/C=C\c1ccc(-c2cc(-c3ccc(/C=C\Br)cc3)cc(-c3ccc(/C=C\Br)cc3)c2)cc1.
What is the InChIKey of 1,3,5-tris[4-[(Z)-2-bromoethenyl]phenyl]benzene?
The InChIKey is YQRLMSFISSZFGM-WLFVLELZSA-N. The full InChI is InChI=1S/C30H21Br3/c31-16-13-22-1-7-25(8-2-22)28-19-29(26-9-3-23(4-10-26)14-17-32)21-30(20-28)27-11-5-24(6-12-27)15-18-33/h1-21H/b16-13-,17-14-,18-15-.
What are the key properties of 1,3,5-tris[4-[(Z)-2-bromoethenyl]phenyl]benzene?
1,3,5-tris[4-[(Z)-2-bromoethenyl]phenyl]benzene has a molecular weight of 621.21 g/mol, XLogP of 10.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[4-[(Z)-2-bromoethenyl]phenyl]benzene is sourced from PubChem (CID 11614249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).