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

Related Compounds

3-[(Z)-2-phenylethenyl]chrysene
CID 14241298
2-[3-[(E)-2-benzo[c]phenanthren-2-ylethenyl]-4-fluorophenyl]pyridine
CID 177476046
3,7,8-trifluorohexahelicene
CID 167713761
2-ethenylhexahelicene
CID 71739612
13,14,15,16-tetrafluorohexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene
CID 11304127
benzo[c]phenanthrene;chrysene
CID 161372898
benzo[c]phenanthrene;tris(triphenylene)
CID 157372160
2-(trifluoromethyl)benzo[c]phenanthrene
CID 44623566
heptacyclo[16.12.0.02,15.03,12.04,9.020,29.021,26]triaconta-1(30),2(15),3(12),4,6,8,10,13,16,18,20(29),21,23,25,27-pentadecaene
CID 155637443
1,4-difluorobenzo[c]phenanthrene
CID 14938397
4,11-bis(2-phenylethenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 76653841
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533

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).