10-phenyl-10-prop-1-ynyl-9H-anthracene

C23H18 — CID 153435981

IUPAC10-phenyl-10-prop-1-ynyl-9H-anthracene
SMILESCC#CC1(c2ccccc2)c2ccccc2Cc2ccccc21
InChIInChI=1S/C23H18/c1-2-16-23(20-12-4-3-5-13-20)21-14-8-6-10-18(21)17-19-11-7-9-15-22(19)23/h3-15H,17H2,1H3
InChIKeyXXHHYOWUZLKRTF-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.95
Rot. Bonds1

About 10-phenyl-10-prop-1-ynyl-9H-anthracene

10-phenyl-10-prop-1-ynyl-9H-anthracene (PubChem CID 153435981) has the molecular formula C23H18 and a molecular weight of 294.40 g/mol. Its IUPAC name is 10-phenyl-10-prop-1-ynyl-9H-anthracene.

Molecular Properties

Compound Name10-phenyl-10-prop-1-ynyl-9H-anthracene
PubChem CID153435981
Molecular FormulaC23H18
Molecular Weight294.40 g/mol
Exact Mass294.14
IUPAC Name10-phenyl-10-prop-1-ynyl-9H-anthracene
SMILESCC#CC1(c2ccccc2)c2ccccc2Cc2ccccc21
InChIInChI=1S/C23H18/c1-2-16-23(20-12-4-3-5-13-20)21-14-8-6-10-18(21)17-19-11-7-9-15-22(19)23/h3-15H,17H2,1H3
InChIKeyXXHHYOWUZLKRTF-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-prop-1-ynyl-9-[4-[4-(9-prop-1-ynylfluoren-9-yl)phenyl]phenyl]fluorene
CID 153299320
2-[4-[9-oxo-2-(2-phenylethynyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]phenyl]-2-(2-phenylethynyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 153299282
ethane;methane;10,10'-spirobi[9H-anthracene]
CID 157229277
3-methyl-3-phenyl-1H-inden-2-one
CID 66651875
1-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
CID 144907616
bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene
CID 91124939
1,4-bis(1,1,3-triphenylprop-2-ynyl)benzene;10-(2-phenylethynyl)-10-[4-[9-(2-phenylethynyl)-10H-anthracen-9-yl]phenyl]-9H-anthracene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]thioxanthene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)xanthen-9-yl]phenyl]xanthene;octakis(prop-1-yne)
CID 160976711
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
3,3-diphenyl-1H-2-benzofuran
CID 571068
3,3-dimethyl-2-methylidene-1H-indene;ethane
CID 143953753
9-(3-methoxyprop-1-ynyl)-9-phenylfluorene
CID 153435964
10,10-bis(methoxymethyl)-9H-anthracene
CID 22140519

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-10-prop-1-ynyl-9H-anthracene?
The IUPAC name of 10-phenyl-10-prop-1-ynyl-9H-anthracene (CID 153435981) is 10-phenyl-10-prop-1-ynyl-9H-anthracene.
What is the SMILES notation for 10-phenyl-10-prop-1-ynyl-9H-anthracene?
The canonical SMILES for 10-phenyl-10-prop-1-ynyl-9H-anthracene is CC#CC1(c2ccccc2)c2ccccc2Cc2ccccc21.
What is the InChIKey of 10-phenyl-10-prop-1-ynyl-9H-anthracene?
The InChIKey is XXHHYOWUZLKRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18/c1-2-16-23(20-12-4-3-5-13-20)21-14-8-6-10-18(21)17-19-11-7-9-15-22(19)23/h3-15H,17H2,1H3.
What are the key properties of 10-phenyl-10-prop-1-ynyl-9H-anthracene?
10-phenyl-10-prop-1-ynyl-9H-anthracene has a molecular weight of 294.40 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-10-prop-1-ynyl-9H-anthracene is sourced from PubChem (CID 153435981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).