1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene

C30H20 — CID 5379616

IUPAC1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene
SMILESC(#Cc1ccc(/C=C\c2ccc(C#Cc3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C30H20/c1-3-7-25(8-4-1)11-13-27-15-19-29(20-16-27)23-24-30-21-17-28(18-22-30)14-12-26-9-5-2-6-10-26/h1-10,15-24H/b24-23-
InChIKeyPUJJFGLZJAYTGE-VHXPQNKSSA-N
MW380.49 g/mol
LogP6.66
Rot. Bonds2

About 1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene

1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene (PubChem CID 5379616) has the molecular formula C30H20 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene
PubChem CID5379616
Molecular FormulaC30H20
Molecular Weight380.49 g/mol
Exact Mass380.16
IUPAC Name1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene
SMILESC(#Cc1ccc(/C=C\c2ccc(C#Cc3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C30H20/c1-3-7-25(8-4-1)11-13-27-15-19-29(20-16-27)23-24-30-21-17-28(18-22-30)14-12-26-9-5-2-6-10-26/h1-10,15-24H/b24-23-
InChIKeyPUJJFGLZJAYTGE-VHXPQNKSSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
2-[(E)-2-phenylethenyl]-6-[2-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]ethynyl]naphthalene
CID 59221386
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine
CID 101213643
1-ethynyl-4-(2-phenylethenyl)benzene
CID 71360336
9,10-dimethylanthracene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene
CID 159662189
4-[4-(2-phenylethynyl)phenyl]benzaldehyde
CID 22353114
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099
disodium;hydride;(E)-stilbene
CID 173089328
1,4-bis(4-phenylbut-3-en-1-ynyl)benzene
CID 71446163
1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221378

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene?
The IUPAC name of 1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene (CID 5379616) is 1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene?
The canonical SMILES for 1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene is C(#Cc1ccc(/C=C\c2ccc(C#Cc3ccccc3)cc2)cc1)c1ccccc1.
What is the InChIKey of 1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene?
The InChIKey is PUJJFGLZJAYTGE-VHXPQNKSSA-N. The full InChI is InChI=1S/C30H20/c1-3-7-25(8-4-1)11-13-27-15-19-29(20-16-27)23-24-30-21-17-28(18-22-30)14-12-26-9-5-2-6-10-26/h1-10,15-24H/b24-23-.
What are the key properties of 1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene?
1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene has a molecular weight of 380.49 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 5379616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).