2-[(E)-2-(5,6,7,8-tetrafluoronaphthalen-2-yl)ethenyl]benzo[c]phenanthrene

C30H16F4 — CID 132506941

IUPAC2-[(E)-2-(5,6,7,8-tetrafluoronaphthalen-2-yl)ethenyl]benzo[c]phenanthrene
SMILESFc1c(F)c(F)c2cc(/C=C/c3ccc4ccc5ccc6ccccc6c5c4c3)ccc2c1F
InChIInChI=1S/C30H16F4/c31-27-23-14-8-18(16-25(23)28(32)30(34)29(27)33)6-5-17-7-9-20-11-13-21-12-10-19-3-1-2-4-22(19)26(21)24(20)15-17/h1-16H/b6-5+
InChIKeyQFNOUNOQWIHXLR-AATRIKPKSA-N
MW452.45 g/mol
LogP9.03
Rot. Bonds2

About 2-[(E)-2-(5,6,7,8-tetrafluoronaphthalen-2-yl)ethenyl]benzo[c]phenanthrene

2-[(E)-2-(5,6,7,8-tetrafluoronaphthalen-2-yl)ethenyl]benzo[c]phenanthrene (PubChem CID 132506941) has the molecular formula C30H16F4 and a molecular weight of 452.45 g/mol. Its IUPAC name is 2-[(E)-2-(5,6,7,8-tetrafluoronaphthalen-2-yl)ethenyl]benzo[c]phenanthrene.

Molecular Properties

Compound Name2-[(E)-2-(5,6,7,8-tetrafluoronaphthalen-2-yl)ethenyl]benzo[c]phenanthrene
PubChem CID132506941
Molecular FormulaC30H16F4
Molecular Weight452.45 g/mol
Exact Mass452.12
IUPAC Name2-[(E)-2-(5,6,7,8-tetrafluoronaphthalen-2-yl)ethenyl]benzo[c]phenanthrene
SMILESFc1c(F)c(F)c2cc(/C=C/c3ccc4ccc5ccc6ccccc6c5c4c3)ccc2c1F
InChIInChI=1S/C30H16F4/c31-27-23-14-8-18(16-25(23)28(32)30(34)29(27)33)6-5-17-7-9-20-11-13-21-12-10-19-3-1-2-4-22(19)26(21)24(20)15-17/h1-16H/b6-5+
InChIKeyQFNOUNOQWIHXLR-AATRIKPKSA-N
XLogP9.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.45
LogP ≤ 59.03
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-[(E)-2-(5,6,7,8-tetrafluoronaphthalen-2-yl)ethenyl]benzo[c]phenanthrene 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 2-[(E)-2-(5,6,7,8-tetrafluoronaphthalen-2-yl)ethenyl]benzo[c]phenanthrene?
The IUPAC name of 2-[(E)-2-(5,6,7,8-tetrafluoronaphthalen-2-yl)ethenyl]benzo[c]phenanthrene (CID 132506941) is 2-[(E)-2-(5,6,7,8-tetrafluoronaphthalen-2-yl)ethenyl]benzo[c]phenanthrene.
What is the SMILES notation for 2-[(E)-2-(5,6,7,8-tetrafluoronaphthalen-2-yl)ethenyl]benzo[c]phenanthrene?
The canonical SMILES for 2-[(E)-2-(5,6,7,8-tetrafluoronaphthalen-2-yl)ethenyl]benzo[c]phenanthrene is Fc1c(F)c(F)c2cc(/C=C/c3ccc4ccc5ccc6ccccc6c5c4c3)ccc2c1F.
What is the InChIKey of 2-[(E)-2-(5,6,7,8-tetrafluoronaphthalen-2-yl)ethenyl]benzo[c]phenanthrene?
The InChIKey is QFNOUNOQWIHXLR-AATRIKPKSA-N. The full InChI is InChI=1S/C30H16F4/c31-27-23-14-8-18(16-25(23)28(32)30(34)29(27)33)6-5-17-7-9-20-11-13-21-12-10-19-3-1-2-4-22(19)26(21)24(20)15-17/h1-16H/b6-5+.
What are the key properties of 2-[(E)-2-(5,6,7,8-tetrafluoronaphthalen-2-yl)ethenyl]benzo[c]phenanthrene?
2-[(E)-2-(5,6,7,8-tetrafluoronaphthalen-2-yl)ethenyl]benzo[c]phenanthrene has a molecular weight of 452.45 g/mol, XLogP of 9.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5,6,7,8-tetrafluoronaphthalen-2-yl)ethenyl]benzo[c]phenanthrene is sourced from PubChem (CID 132506941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).