1,8-bis(prop-1-ynyl)anthracene

C20H14 — CID 122211067

IUPAC1,8-bis(prop-1-ynyl)anthracene
SMILESCC#Cc1cccc2cc3cccc(C#CC)c3cc12
InChIInChI=1S/C20H14/c1-3-7-15-9-5-11-17-13-18-12-6-10-16(8-4-2)20(18)14-19(15)17/h5-6,9-14H,1-2H3
InChIKeySNZISOOTEBKNJI-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.74
Rot. Bonds

About 1,8-bis(prop-1-ynyl)anthracene

1,8-bis(prop-1-ynyl)anthracene (PubChem CID 122211067) has the molecular formula C20H14 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,8-bis(prop-1-ynyl)anthracene.

Molecular Properties

Compound Name1,8-bis(prop-1-ynyl)anthracene
PubChem CID122211067
Molecular FormulaC20H14
Molecular Weight254.33 g/mol
Exact Mass254.11
IUPAC Name1,8-bis(prop-1-ynyl)anthracene
SMILESCC#Cc1cccc2cc3cccc(C#CC)c3cc12
InChIInChI=1S/C20H14/c1-3-7-15-9-5-11-17-13-18-12-6-10-16(8-4-2)20(18)14-19(15)17/h5-6,9-14H,1-2H3
InChIKeySNZISOOTEBKNJI-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,8-bis(2-bromoethynyl)anthracene
CID 71401703
trimethyl(2-pentacen-1-ylethynyl)silane
CID 141150264
tri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane
CID 101376385
1-[2-(4-methoxyphenyl)ethynyl]anthracene
CID 12635754
S-[4-[2-[4-[2-[8-[2-[4-[2-(4-acetylsulfanylphenyl)ethynyl]phenyl]ethynyl]anthracen-1-yl]ethynyl]phenyl]ethynyl]phenyl] ethanethioate
CID 101348270
anthracene-1-carbonitrile
CID 3036603
2-ethyl-3-phenyl-5-prop-1-ynylquinoline
CID 145057543
tri(propan-2-yl)-[10-propan-2-yl-8-[2-[8-[2-[10-propan-2-yl-8-[2-[8-[2-[10-propan-2-yl-8-[2-[8-[2-[10-propan-2-yl-8-tri(propan-2-yl)silylanthracen-1-yl]ethynyl]anthracen-1-yl]ethynyl]anthracen-1-yl]ethynyl]anthracen-1-yl]ethynyl]anthracen-1-yl]ethynyl]anthracen-1-yl]ethynyl]anthracen-1-yl]silane
CID 101355529
CID 174880137
CID 174880137
6,13-bis(prop-1-ynyl)pentacene
CID 15530601
2,3,6,7-tetrakis(2-naphthalen-1-ylethynyl)naphthalene
CID 177465758
CID 174694090
CID 174694090

Frequently Asked Questions

What is the IUPAC name of 1,8-bis(prop-1-ynyl)anthracene?
The IUPAC name of 1,8-bis(prop-1-ynyl)anthracene (CID 122211067) is 1,8-bis(prop-1-ynyl)anthracene.
What is the SMILES notation for 1,8-bis(prop-1-ynyl)anthracene?
The canonical SMILES for 1,8-bis(prop-1-ynyl)anthracene is CC#Cc1cccc2cc3cccc(C#CC)c3cc12.
What is the InChIKey of 1,8-bis(prop-1-ynyl)anthracene?
The InChIKey is SNZISOOTEBKNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14/c1-3-7-15-9-5-11-17-13-18-12-6-10-16(8-4-2)20(18)14-19(15)17/h5-6,9-14H,1-2H3.
What are the key properties of 1,8-bis(prop-1-ynyl)anthracene?
1,8-bis(prop-1-ynyl)anthracene has a molecular weight of 254.33 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis(prop-1-ynyl)anthracene is sourced from PubChem (CID 122211067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).