1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene

C26H15Br2ClF2 — CID 167713767

IUPAC1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene
SMILESFc1c(/C=C\c2cc(Cl)ccc2Br)ccc(/C=C\c2ccc3ccccc3c2Br)c1F
InChIInChI=1S/C26H15Br2ClF2/c27-23-14-13-21(29)15-20(23)12-11-19-10-9-18(25(30)26(19)31)8-7-17-6-5-16-3-1-2-4-22(16)24(17)28/h1-15H/b8-7-,12-11-
InChIKeyISYXZBXBSCWRMJ-MQEUWQHPSA-N
MW560.66 g/mol
LogP9.64
Rot. Bonds4

About 1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene

1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene (PubChem CID 167713767) has the molecular formula C26H15Br2ClF2 and a molecular weight of 560.66 g/mol. Its IUPAC name is 1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene.

Molecular Properties

Compound Name1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene
PubChem CID167713767
Molecular FormulaC26H15Br2ClF2
Molecular Weight560.66 g/mol
Exact Mass557.92
IUPAC Name1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene
SMILESFc1c(/C=C\c2cc(Cl)ccc2Br)ccc(/C=C\c2ccc3ccccc3c2Br)c1F
InChIInChI=1S/C26H15Br2ClF2/c27-23-14-13-21(29)15-20(23)12-11-19-10-9-18(25(30)26(19)31)8-7-17-6-5-16-3-1-2-4-22(16)24(17)28/h1-15H/b8-7-,12-11-
InChIKeyISYXZBXBSCWRMJ-MQEUWQHPSA-N
XLogP9.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.66
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

10-Bromo-1,8-dichloroanthracene
CID 15939690
1-Bromo-2-(4-chloro-2-fluorophenyl)naphthalene
CID 154709386
2,7-Dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene
CID 154709390
9-Bromo-10-chloroanthracene
CID 14790560
3,3'-Dibromo-1,1'-difluoro-2,2'-binaphthalene
CID 11655278
4-Bromo-1-fluorobenzo[c]phenanthrene
CID 13383951
4-Bromo-1-chloro-2-(trifluoromethyl)naphthalene
CID 84820277
7,20-Dibromo-4,17-difluorohexacyclo[12.12.0.02,11.03,8.015,24.016,21]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaene
CID 134962861
6-Bromo-13,16-difluorohexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),6,8,12,14,16,19,21,23,25-tridecaene
CID 134962863
(Z)-3-(2-(1-bromonaphthalen-2-yl)vinyl)-1,2-difluorophenanthrene
CID 167713734
(Z)-3-(2-(1-bromonaphthalen-2-yl)vinyl)-1,2,6-trifluorophenanthrene
CID 167713738
(Z)-3-(2-(1-bromonaphthalen-2-yl)vinyl)-1,2,7-trifluorophenanthrene
CID 167713739

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene?
The IUPAC name of 1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene (CID 167713767) is 1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene.
What is the SMILES notation for 1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene?
The canonical SMILES for 1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene is Fc1c(/C=C\c2cc(Cl)ccc2Br)ccc(/C=C\c2ccc3ccccc3c2Br)c1F.
What is the InChIKey of 1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene?
The InChIKey is ISYXZBXBSCWRMJ-MQEUWQHPSA-N. The full InChI is InChI=1S/C26H15Br2ClF2/c27-23-14-13-21(29)15-20(23)12-11-19-10-9-18(25(30)26(19)31)8-7-17-6-5-16-3-1-2-4-22(16)24(17)28/h1-15H/b8-7-,12-11-.
What are the key properties of 1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene?
1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene has a molecular weight of 560.66 g/mol, XLogP of 9.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene is sourced from PubChem (CID 167713767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).