3-[(Z)-2-(1-bromonaphthalen-2-yl)ethenyl]-1,2,6-trifluorophenanthrene

C26H14BrF3 — CID 167713738

IUPAC3-[(Z)-2-(1-bromonaphthalen-2-yl)ethenyl]-1,2,6-trifluorophenanthrene
SMILESFc1ccc2ccc3c(F)c(F)c(/C=C\c4ccc5ccccc5c4Br)cc3c2c1
InChIInChI=1S/C26H14BrF3/c27-24-17(6-5-15-3-1-2-4-20(15)24)7-8-18-13-23-21(26(30)25(18)29)12-10-16-9-11-19(28)14-22(16)23/h1-14H/b8-7-
InChIKeyRVADYLHABZXAGH-FPLPWBNLSA-N
MW463.30 g/mol
LogP8.50
Rot. Bonds2

About 3-[(Z)-2-(1-bromonaphthalen-2-yl)ethenyl]-1,2,6-trifluorophenanthrene

3-[(Z)-2-(1-bromonaphthalen-2-yl)ethenyl]-1,2,6-trifluorophenanthrene (PubChem CID 167713738) has the molecular formula C26H14BrF3 and a molecular weight of 463.30 g/mol. Its IUPAC name is 3-[(Z)-2-(1-bromonaphthalen-2-yl)ethenyl]-1,2,6-trifluorophenanthrene.

Molecular Properties

Compound Name3-[(Z)-2-(1-bromonaphthalen-2-yl)ethenyl]-1,2,6-trifluorophenanthrene
PubChem CID167713738
Molecular FormulaC26H14BrF3
Molecular Weight463.30 g/mol
Exact Mass462.02
IUPAC Name3-[(Z)-2-(1-bromonaphthalen-2-yl)ethenyl]-1,2,6-trifluorophenanthrene
SMILESFc1ccc2ccc3c(F)c(F)c(/C=C\c4ccc5ccccc5c4Br)cc3c2c1
InChIInChI=1S/C26H14BrF3/c27-24-17(6-5-15-3-1-2-4-20(15)24)7-8-18-13-23-21(26(30)25(18)29)12-10-16-9-11-19(28)14-22(16)23/h1-14H/b8-7-
InChIKeyRVADYLHABZXAGH-FPLPWBNLSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.30
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9-Bromophenanthrene
CID 11309
9,10-Dibromoanthracene
CID 68226
9-Bromoanthracene
CID 74062
6-Bromobenzo(a)pyrene
CID 30545
1-Bromo-2-(bromomethyl)naphthalene
CID 37828
1-Bromopyrene
CID 159627
7-Bromobenz(a)anthracene
CID 72849
1-Bromo-2-methylnaphthalene
CID 75754
9-Bromo-10-phenyl-anthracene
CID 4155836
9-Bromo-10-methylanthracene
CID 5077898
1,3,6,8-Tetrabromopyrene
CID 67188
Pyrene, 1,6-Dibromo-
CID 176470

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(1-bromonaphthalen-2-yl)ethenyl]-1,2,6-trifluorophenanthrene?
The IUPAC name of 3-[(Z)-2-(1-bromonaphthalen-2-yl)ethenyl]-1,2,6-trifluorophenanthrene (CID 167713738) is 3-[(Z)-2-(1-bromonaphthalen-2-yl)ethenyl]-1,2,6-trifluorophenanthrene.
What is the SMILES notation for 3-[(Z)-2-(1-bromonaphthalen-2-yl)ethenyl]-1,2,6-trifluorophenanthrene?
The canonical SMILES for 3-[(Z)-2-(1-bromonaphthalen-2-yl)ethenyl]-1,2,6-trifluorophenanthrene is Fc1ccc2ccc3c(F)c(F)c(/C=C\c4ccc5ccccc5c4Br)cc3c2c1.
What is the InChIKey of 3-[(Z)-2-(1-bromonaphthalen-2-yl)ethenyl]-1,2,6-trifluorophenanthrene?
The InChIKey is RVADYLHABZXAGH-FPLPWBNLSA-N. The full InChI is InChI=1S/C26H14BrF3/c27-24-17(6-5-15-3-1-2-4-20(15)24)7-8-18-13-23-21(26(30)25(18)29)12-10-16-9-11-19(28)14-22(16)23/h1-14H/b8-7-.
What are the key properties of 3-[(Z)-2-(1-bromonaphthalen-2-yl)ethenyl]-1,2,6-trifluorophenanthrene?
3-[(Z)-2-(1-bromonaphthalen-2-yl)ethenyl]-1,2,6-trifluorophenanthrene has a molecular weight of 463.30 g/mol, XLogP of 8.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-(1-bromonaphthalen-2-yl)ethenyl]-1,2,6-trifluorophenanthrene is sourced from PubChem (CID 167713738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).