2-[3-[(E)-2-benzo[c]phenanthren-2-ylethenyl]-4-fluorophenyl]pyridine

C31H20FN — CID 177476046

IUPAC2-[3-[(E)-2-benzo[c]phenanthren-2-ylethenyl]-4-fluorophenyl]pyridine
SMILESFc1ccc(-c2ccccn2)cc1/C=C/c1ccc2ccc3ccc4ccccc4c3c2c1
InChIInChI=1S/C31H20FN/c32-29-17-16-26(30-7-3-4-18-33-30)20-25(29)11-9-21-8-10-23-13-15-24-14-12-22-5-1-2-6-27(22)31(24)28(23)19-21/h1-20H/b11-9+
InChIKeyMBGBRJAGQKBERY-PKNBQFBNSA-N
MW425.51 g/mol
LogP8.52
Rot. Bonds3

About 2-[3-[(E)-2-benzo[c]phenanthren-2-ylethenyl]-4-fluorophenyl]pyridine

2-[3-[(E)-2-benzo[c]phenanthren-2-ylethenyl]-4-fluorophenyl]pyridine (PubChem CID 177476046) has the molecular formula C31H20FN and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-[3-[(E)-2-benzo[c]phenanthren-2-ylethenyl]-4-fluorophenyl]pyridine.

Molecular Properties

Compound Name2-[3-[(E)-2-benzo[c]phenanthren-2-ylethenyl]-4-fluorophenyl]pyridine
PubChem CID177476046
Molecular FormulaC31H20FN
Molecular Weight425.51 g/mol
Exact Mass425.16
IUPAC Name2-[3-[(E)-2-benzo[c]phenanthren-2-ylethenyl]-4-fluorophenyl]pyridine
SMILESFc1ccc(-c2ccccn2)cc1/C=C/c1ccc2ccc3ccc4ccccc4c3c2c1
InChIInChI=1S/C31H20FN/c32-29-17-16-26(30-7-3-4-18-33-30)20-25(29)11-9-21-8-10-23-13-15-24-14-12-22-5-1-2-6-27(22)31(24)28(23)19-21/h1-20H/b11-9+
InChIKeyMBGBRJAGQKBERY-PKNBQFBNSA-N
XLogP8.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[3-[(E)-2-benzo[c]phenanthren-2-ylethenyl]-4-fluorophenyl]pyridine 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

2-[(E)-2-(5,6,7,8-tetrafluoronaphthalen-2-yl)ethenyl]benzo[c]phenanthrene
CID 132506941
2-fluoro-5-pyridin-2-ylbenzaldehyde
CID 63680969
3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline
CID 3980990
2-(3-chloro-4-fluorophenyl)pyridine
CID 11644141
N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine
CID 118122927
7,10-dipyridin-2-ylbenzo[c]carbazole
CID 90249849
2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-7-yl)pyridine
CID 176787817
2-(22-pyridin-2-yl-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl)pyridine
CID 58738539
2-hexahelicen-1-ylpyridine
CID 146019951
2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine
CID 59171873
2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 118487396
3-(3-pyridin-2-ylphenyl)benzo[h]quinoline
CID 176728682

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-2-benzo[c]phenanthren-2-ylethenyl]-4-fluorophenyl]pyridine?
The IUPAC name of 2-[3-[(E)-2-benzo[c]phenanthren-2-ylethenyl]-4-fluorophenyl]pyridine (CID 177476046) is 2-[3-[(E)-2-benzo[c]phenanthren-2-ylethenyl]-4-fluorophenyl]pyridine.
What is the SMILES notation for 2-[3-[(E)-2-benzo[c]phenanthren-2-ylethenyl]-4-fluorophenyl]pyridine?
The canonical SMILES for 2-[3-[(E)-2-benzo[c]phenanthren-2-ylethenyl]-4-fluorophenyl]pyridine is Fc1ccc(-c2ccccn2)cc1/C=C/c1ccc2ccc3ccc4ccccc4c3c2c1.
What is the InChIKey of 2-[3-[(E)-2-benzo[c]phenanthren-2-ylethenyl]-4-fluorophenyl]pyridine?
The InChIKey is MBGBRJAGQKBERY-PKNBQFBNSA-N. The full InChI is InChI=1S/C31H20FN/c32-29-17-16-26(30-7-3-4-18-33-30)20-25(29)11-9-21-8-10-23-13-15-24-14-12-22-5-1-2-6-27(22)31(24)28(23)19-21/h1-20H/b11-9+.
What are the key properties of 2-[3-[(E)-2-benzo[c]phenanthren-2-ylethenyl]-4-fluorophenyl]pyridine?
2-[3-[(E)-2-benzo[c]phenanthren-2-ylethenyl]-4-fluorophenyl]pyridine has a molecular weight of 425.51 g/mol, XLogP of 8.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-2-benzo[c]phenanthren-2-ylethenyl]-4-fluorophenyl]pyridine is sourced from PubChem (CID 177476046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).