1-[(E)-2-anthracen-9-ylethenyl]pyrene

C32H20 — CID 102439773

IUPAC1-[(E)-2-anthracen-9-ylethenyl]pyrene
SMILESC(=C/c1ccc2ccc3cccc4ccc1c2c34)\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C32H20/c1-3-10-27-25(6-1)20-26-7-2-4-11-28(26)30(27)19-16-21-12-13-24-15-14-22-8-5-9-23-17-18-29(21)32(24)31(22)23/h1-20H/b19-16+
InChIKeyUZPPDMHZSSUGNU-KNTRCKAVSA-N
MW404.51 g/mol
LogP9.06
Rot. Bonds2

About 1-[(E)-2-anthracen-9-ylethenyl]pyrene

1-[(E)-2-anthracen-9-ylethenyl]pyrene (PubChem CID 102439773) has the molecular formula C32H20 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-[(E)-2-anthracen-9-ylethenyl]pyrene.

Molecular Properties

Compound Name1-[(E)-2-anthracen-9-ylethenyl]pyrene
PubChem CID102439773
Molecular FormulaC32H20
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name1-[(E)-2-anthracen-9-ylethenyl]pyrene
SMILESC(=C/c1ccc2ccc3cccc4ccc1c2c34)\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C32H20/c1-3-10-27-25(6-1)20-26-7-2-4-11-28(26)30(27)19-16-21-12-13-24-15-14-22-8-5-9-23-17-18-29(21)32(24)31(22)23/h1-20H/b19-16+
InChIKeyUZPPDMHZSSUGNU-KNTRCKAVSA-N
XLogP9.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9-(2-naphthalen-1-ylethenyl)anthracene
CID 630261
9-[(E)-2-naphthalen-1-ylethenyl]anthracene
CID 139205427
1-[2-(2-chlorophenyl)ethenyl]pyrene
CID 71329845
9-ethenylanthracene;1-ethenylnaphthalene;1-ethenylpyrene;styrene
CID 161490396
(E)-3-pyren-1-ylprop-2-enal
CID 102183724
1-[(1E,6E)-7-pyren-1-ylhepta-1,6-dienyl]pyrene
CID 132511526
(E)-1-pyren-1-yl-N-[(E)-pyren-1-ylmethylideneamino]methanimine
CID 57458952
4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]pyridine
CID 156772074
2,3-bis(2-anthracen-9-ylethenyl)quinoxaline
CID 139835703
2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine
CID 138968741
pentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene
CID 163289904
3-[(E)-2-pyren-1-ylethenyl]pyridine
CID 176966606

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-anthracen-9-ylethenyl]pyrene?
The IUPAC name of 1-[(E)-2-anthracen-9-ylethenyl]pyrene (CID 102439773) is 1-[(E)-2-anthracen-9-ylethenyl]pyrene.
What is the SMILES notation for 1-[(E)-2-anthracen-9-ylethenyl]pyrene?
The canonical SMILES for 1-[(E)-2-anthracen-9-ylethenyl]pyrene is C(=C/c1ccc2ccc3cccc4ccc1c2c34)\c1c2ccccc2cc2ccccc12.
What is the InChIKey of 1-[(E)-2-anthracen-9-ylethenyl]pyrene?
The InChIKey is UZPPDMHZSSUGNU-KNTRCKAVSA-N. The full InChI is InChI=1S/C32H20/c1-3-10-27-25(6-1)20-26-7-2-4-11-28(26)30(27)19-16-21-12-13-24-15-14-22-8-5-9-23-17-18-29(21)32(24)31(22)23/h1-20H/b19-16+.
What are the key properties of 1-[(E)-2-anthracen-9-ylethenyl]pyrene?
1-[(E)-2-anthracen-9-ylethenyl]pyrene has a molecular weight of 404.51 g/mol, XLogP of 9.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-anthracen-9-ylethenyl]pyrene is sourced from PubChem (CID 102439773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).