6,7-difluoro-1,4-diphenyl-2,3-bis(2-phenylethynyl)naphthalene

C38H22F2 — CID 11455113

IUPAC6,7-difluoro-1,4-diphenyl-2,3-bis(2-phenylethynyl)naphthalene
SMILESFc1cc2c(-c3ccccc3)c(C#Cc3ccccc3)c(C#Cc3ccccc3)c(-c3ccccc3)c2cc1F
InChIInChI=1S/C38H22F2/c39-35-25-33-34(26-36(35)40)38(30-19-11-4-12-20-30)32(24-22-28-15-7-2-8-16-28)31(23-21-27-13-5-1-6-14-27)37(33)29-17-9-3-10-18-29/h1-20,25-26H
InChIKeyLDYJMVWNNTVDAU-UHFFFAOYSA-N
MW516.59 g/mol
LogP9.25
Rot. Bonds2

About 6,7-difluoro-1,4-diphenyl-2,3-bis(2-phenylethynyl)naphthalene

6,7-difluoro-1,4-diphenyl-2,3-bis(2-phenylethynyl)naphthalene (PubChem CID 11455113) has the molecular formula C38H22F2 and a molecular weight of 516.59 g/mol. Its IUPAC name is 6,7-difluoro-1,4-diphenyl-2,3-bis(2-phenylethynyl)naphthalene.

Molecular Properties

Compound Name6,7-difluoro-1,4-diphenyl-2,3-bis(2-phenylethynyl)naphthalene
PubChem CID11455113
Molecular FormulaC38H22F2
Molecular Weight516.59 g/mol
Exact Mass516.17
IUPAC Name6,7-difluoro-1,4-diphenyl-2,3-bis(2-phenylethynyl)naphthalene
SMILESFc1cc2c(-c3ccccc3)c(C#Cc3ccccc3)c(C#Cc3ccccc3)c(-c3ccccc3)c2cc1F
InChIInChI=1S/C38H22F2/c39-35-25-33-34(26-36(35)40)38(30-19-11-4-12-20-30)32(24-22-28-15-7-2-8-16-28)31(23-21-27-13-5-1-6-14-27)37(33)29-17-9-3-10-18-29/h1-20,25-26H
InChIKeyLDYJMVWNNTVDAU-UHFFFAOYSA-N
XLogP9.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.59
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6,7-difluoro-1,4-diphenyl-2,3-bis(2-phenylethynyl)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 6,7-difluoro-1,4-diphenyl-2,3-bis(2-phenylethynyl)naphthalene?
The IUPAC name of 6,7-difluoro-1,4-diphenyl-2,3-bis(2-phenylethynyl)naphthalene (CID 11455113) is 6,7-difluoro-1,4-diphenyl-2,3-bis(2-phenylethynyl)naphthalene.
What is the SMILES notation for 6,7-difluoro-1,4-diphenyl-2,3-bis(2-phenylethynyl)naphthalene?
The canonical SMILES for 6,7-difluoro-1,4-diphenyl-2,3-bis(2-phenylethynyl)naphthalene is Fc1cc2c(-c3ccccc3)c(C#Cc3ccccc3)c(C#Cc3ccccc3)c(-c3ccccc3)c2cc1F.
What is the InChIKey of 6,7-difluoro-1,4-diphenyl-2,3-bis(2-phenylethynyl)naphthalene?
The InChIKey is LDYJMVWNNTVDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22F2/c39-35-25-33-34(26-36(35)40)38(30-19-11-4-12-20-30)32(24-22-28-15-7-2-8-16-28)31(23-21-27-13-5-1-6-14-27)37(33)29-17-9-3-10-18-29/h1-20,25-26H.
What are the key properties of 6,7-difluoro-1,4-diphenyl-2,3-bis(2-phenylethynyl)naphthalene?
6,7-difluoro-1,4-diphenyl-2,3-bis(2-phenylethynyl)naphthalene has a molecular weight of 516.59 g/mol, XLogP of 9.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1,4-diphenyl-2,3-bis(2-phenylethynyl)naphthalene is sourced from PubChem (CID 11455113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).