4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]pyridine

C58H36N2 — CID 156772074

IUPAC4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]pyridine
SMILESC(=C/c1ccc2ccc3cccc4ccc1c2c34)\c1ccnc(-c2ccccc2-c2ccccc2-c2cc(/C=C/c3ccc4ccc5cccc6ccc3c4c56)ccn2)c1
InChIInChI=1S/C58H36N2/c1-3-13-51(53-35-37(31-33-59-53)15-17-39-19-21-45-25-23-41-7-5-9-43-27-29-47(39)57(45)55(41)43)49(11-1)50-12-2-4-14-52(50)54-36-38(32-34-60-54)16-18-40-20-22-46-26-24-42-8-6-10-44-28-30-48(40)58(46)56(42)44/h1-36H/b17-15+,18-16+
InChIKeyLFDPREGCHIBXQZ-YTEMWHBBSA-N
MW760.94 g/mol
LogP15.61
Rot. Bonds7

About 4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]pyridine

4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]pyridine (PubChem CID 156772074) has the molecular formula C58H36N2 and a molecular weight of 760.94 g/mol. Its IUPAC name is 4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]pyridine
PubChem CID156772074
Molecular FormulaC58H36N2
Molecular Weight760.94 g/mol
Exact Mass760.29
IUPAC Name4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]pyridine
SMILESC(=C/c1ccc2ccc3cccc4ccc1c2c34)\c1ccnc(-c2ccccc2-c2ccccc2-c2cc(/C=C/c3ccc4ccc5cccc6ccc3c4c56)ccn2)c1
InChIInChI=1S/C58H36N2/c1-3-13-51(53-35-37(31-33-59-53)15-17-39-19-21-45-25-23-41-7-5-9-43-27-29-47(39)57(45)55(41)43)49(11-1)50-12-2-4-14-52(50)54-36-38(32-34-60-54)16-18-40-20-22-46-26-24-42-8-6-10-44-28-30-48(40)58(46)56(42)44/h1-36H/b17-15+,18-16+
InChIKeyLFDPREGCHIBXQZ-YTEMWHBBSA-N
XLogP15.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.94
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]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-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine
CID 138968741
3-[(E)-2-pyren-1-ylethenyl]pyridine
CID 176966606
1-[(E)-2-anthracen-9-ylethenyl]pyrene
CID 102439773
1-[2-(2-chlorophenyl)ethenyl]pyrene
CID 71329845
1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene
CID 56647690
tris(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
CID 156734955
(E)-3-pyren-1-ylprop-2-enal
CID 102183724
4-[4-[2-(2-pyren-1-ylphenyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 166684989
1-[(1E,6E)-7-pyren-1-ylhepta-1,6-dienyl]pyrene
CID 132511526
2-benzo[a]anthracen-1-ylpyrazine
CID 163742161
(E)-1-pyren-1-yl-N-[(E)-pyren-1-ylmethylideneamino]methanimine
CID 57458952
triphenyl-[(E)-4-pyren-1-ylbut-3-en-2-yl]phosphanium
CID 51041264

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]pyridine?
The IUPAC name of 4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]pyridine (CID 156772074) is 4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]pyridine?
The canonical SMILES for 4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]pyridine is C(=C/c1ccc2ccc3cccc4ccc1c2c34)\c1ccnc(-c2ccccc2-c2ccccc2-c2cc(/C=C/c3ccc4ccc5cccc6ccc3c4c56)ccn2)c1.
What is the InChIKey of 4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]pyridine?
The InChIKey is LFDPREGCHIBXQZ-YTEMWHBBSA-N. The full InChI is InChI=1S/C58H36N2/c1-3-13-51(53-35-37(31-33-59-53)15-17-39-19-21-45-25-23-41-7-5-9-43-27-29-47(39)57(45)55(41)43)49(11-1)50-12-2-4-14-52(50)54-36-38(32-34-60-54)16-18-40-20-22-46-26-24-42-8-6-10-44-28-30-48(40)58(46)56(42)44/h1-36H/b17-15+,18-16+.
What are the key properties of 4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]pyridine?
4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]pyridine has a molecular weight of 760.94 g/mol, XLogP of 15.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 156772074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).