9-(2-phenylethynyl)phenanthrene

C22H14 — CID 71412367

IUPAC9-(2-phenylethynyl)phenanthrene
SMILESC(#Cc1cc2ccccc2c2ccccc12)c1ccccc1
InChIInChI=1S/C22H14/c1-2-8-17(9-3-1)14-15-19-16-18-10-4-5-11-20(18)22-13-7-6-12-21(19)22/h1-13,16H
InChIKeyAPQHOQCIZDYUJA-UHFFFAOYSA-N
MW278.35 g/mol
LogP5.39
Rot. Bonds

About 9-(2-phenylethynyl)phenanthrene

9-(2-phenylethynyl)phenanthrene (PubChem CID 71412367) has the molecular formula C22H14 and a molecular weight of 278.35 g/mol. Its IUPAC name is 9-(2-phenylethynyl)phenanthrene.

Molecular Properties

Compound Name9-(2-phenylethynyl)phenanthrene
PubChem CID71412367
Molecular FormulaC22H14
Molecular Weight278.35 g/mol
Exact Mass278.11
IUPAC Name9-(2-phenylethynyl)phenanthrene
SMILESC(#Cc1cc2ccccc2c2ccccc12)c1ccccc1
InChIInChI=1S/C22H14/c1-2-8-17(9-3-1)14-15-19-16-18-10-4-5-11-20(18)22-13-7-6-12-21(19)22/h1-13,16H
InChIKeyAPQHOQCIZDYUJA-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.35
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-3-(2-phenylethynyl)naphthalen-1-yl]-3-(2-phenylethynyl)naphthalen-2-ol
CID 12036498
9-[2-(2-bromophenyl)ethynyl]phenanthrene;ethane
CID 123337714
9-[4-[2-(2-phenylphenyl)ethynyl]phenyl]phenanthrene
CID 59629281
9-[2-(cyclohexen-1-yl)ethynyl]phenanthrene
CID 102411203
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
1-(2-phenylethynyl)-5-[5-(2-phenylethynyl)naphthalen-1-yl]naphthalene
CID 139963297
4-phenanthren-9-ylbut-3-ynamide
CID 170474048
2-[3,5-bis[1-(2-phenylethynyl)naphthalen-2-yl]phenyl]-1-(2-phenylethynyl)naphthalene
CID 122229188
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
1,8-di(anthracen-9-yl)-3,6-bis[2-(4-tert-butylphenyl)ethynyl]pyrene;1,8-di(anthracen-9-yl)-3,6-bis(2-phenylethynyl)pyrene
CID 159260924
2-methoxy-1,4-bis(2-phenylethynyl)naphthalene
CID 59188694

Frequently Asked Questions

What is the IUPAC name of 9-(2-phenylethynyl)phenanthrene?
The IUPAC name of 9-(2-phenylethynyl)phenanthrene (CID 71412367) is 9-(2-phenylethynyl)phenanthrene.
What is the SMILES notation for 9-(2-phenylethynyl)phenanthrene?
The canonical SMILES for 9-(2-phenylethynyl)phenanthrene is C(#Cc1cc2ccccc2c2ccccc12)c1ccccc1.
What is the InChIKey of 9-(2-phenylethynyl)phenanthrene?
The InChIKey is APQHOQCIZDYUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14/c1-2-8-17(9-3-1)14-15-19-16-18-10-4-5-11-20(18)22-13-7-6-12-21(19)22/h1-13,16H.
What are the key properties of 9-(2-phenylethynyl)phenanthrene?
9-(2-phenylethynyl)phenanthrene has a molecular weight of 278.35 g/mol, XLogP of 5.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-phenylethynyl)phenanthrene is sourced from PubChem (CID 71412367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).