1-(2-bromonaphthalen-1-yl)-2-(2,3,4,5,6-pentafluorophenyl)naphthalene

C26H12BrF5 — CID 11202815

IUPAC1-(2-bromonaphthalen-1-yl)-2-(2,3,4,5,6-pentafluorophenyl)naphthalene
SMILESFc1c(F)c(F)c(-c2ccc3ccccc3c2-c2c(Br)ccc3ccccc23)c(F)c1F
InChIInChI=1S/C26H12BrF5/c27-18-12-10-14-6-2-4-8-16(14)20(18)19-15-7-3-1-5-13(15)9-11-17(19)21-22(28)24(30)26(32)25(31)23(21)29/h1-12H
InChIKeyBUSLOVDIVZYIHX-UHFFFAOYSA-N
MW499.28 g/mol
LogP8.78
Rot. Bonds2

About 1-(2-bromonaphthalen-1-yl)-2-(2,3,4,5,6-pentafluorophenyl)naphthalene

1-(2-bromonaphthalen-1-yl)-2-(2,3,4,5,6-pentafluorophenyl)naphthalene (PubChem CID 11202815) has the molecular formula C26H12BrF5 and a molecular weight of 499.28 g/mol. Its IUPAC name is 1-(2-bromonaphthalen-1-yl)-2-(2,3,4,5,6-pentafluorophenyl)naphthalene.

Molecular Properties

Compound Name1-(2-bromonaphthalen-1-yl)-2-(2,3,4,5,6-pentafluorophenyl)naphthalene
PubChem CID11202815
Molecular FormulaC26H12BrF5
Molecular Weight499.28 g/mol
Exact Mass498.00
IUPAC Name1-(2-bromonaphthalen-1-yl)-2-(2,3,4,5,6-pentafluorophenyl)naphthalene
SMILESFc1c(F)c(F)c(-c2ccc3ccccc3c2-c2c(Br)ccc3ccccc23)c(F)c1F
InChIInChI=1S/C26H12BrF5/c27-18-12-10-14-6-2-4-8-16(14)20(18)19-15-7-3-1-5-13(15)9-11-17(19)21-22(28)24(30)26(32)25(31)23(21)29/h1-12H
InChIKeyBUSLOVDIVZYIHX-UHFFFAOYSA-N
XLogP8.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.28
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(2-bromonaphthalen-1-yl)-2-(2,3,4,5,6-pentafluorophenyl)naphthalene 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-(2-bromonaphthalen-1-yl)-2-(2,3,4,5,6-pentafluorophenyl)naphthalene?
The IUPAC name of 1-(2-bromonaphthalen-1-yl)-2-(2,3,4,5,6-pentafluorophenyl)naphthalene (CID 11202815) is 1-(2-bromonaphthalen-1-yl)-2-(2,3,4,5,6-pentafluorophenyl)naphthalene.
What is the SMILES notation for 1-(2-bromonaphthalen-1-yl)-2-(2,3,4,5,6-pentafluorophenyl)naphthalene?
The canonical SMILES for 1-(2-bromonaphthalen-1-yl)-2-(2,3,4,5,6-pentafluorophenyl)naphthalene is Fc1c(F)c(F)c(-c2ccc3ccccc3c2-c2c(Br)ccc3ccccc23)c(F)c1F.
What is the InChIKey of 1-(2-bromonaphthalen-1-yl)-2-(2,3,4,5,6-pentafluorophenyl)naphthalene?
The InChIKey is BUSLOVDIVZYIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12BrF5/c27-18-12-10-14-6-2-4-8-16(14)20(18)19-15-7-3-1-5-13(15)9-11-17(19)21-22(28)24(30)26(32)25(31)23(21)29/h1-12H.
What are the key properties of 1-(2-bromonaphthalen-1-yl)-2-(2,3,4,5,6-pentafluorophenyl)naphthalene?
1-(2-bromonaphthalen-1-yl)-2-(2,3,4,5,6-pentafluorophenyl)naphthalene has a molecular weight of 499.28 g/mol, XLogP of 8.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromonaphthalen-1-yl)-2-(2,3,4,5,6-pentafluorophenyl)naphthalene is sourced from PubChem (CID 11202815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).