2-chloro-9,10-diethynylanthracene

C18H9Cl — CID 21113563

IUPAC2-chloro-9,10-diethynylanthracene
SMILESC#Cc1c2ccccc2c(C#C)c2cc(Cl)ccc12
InChIInChI=1S/C18H9Cl/c1-3-13-15-7-5-6-8-16(15)14(4-2)18-11-12(19)9-10-17(13)18/h1-2,5-11H
InChIKeyCZQGJWNJLXVQGO-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.61
Rot. Bonds

About 2-chloro-9,10-diethynylanthracene

2-chloro-9,10-diethynylanthracene (PubChem CID 21113563) has the molecular formula C18H9Cl and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-chloro-9,10-diethynylanthracene.

Molecular Properties

Compound Name2-chloro-9,10-diethynylanthracene
PubChem CID21113563
Molecular FormulaC18H9Cl
Molecular Weight260.72 g/mol
Exact Mass260.04
IUPAC Name2-chloro-9,10-diethynylanthracene
SMILESC#Cc1c2ccccc2c(C#C)c2cc(Cl)ccc12
InChIInChI=1S/C18H9Cl/c1-3-13-15-7-5-6-8-16(15)14(4-2)18-11-12(19)9-10-17(13)18/h1-2,5-11H
InChIKeyCZQGJWNJLXVQGO-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.61
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

benzene;9-ethynylanthracene
CID 161110556
10-chlorophenanthro[9,10-b]pyrazine
CID 121296750
1,3-dichloro-2-ethynylbenzene
CID 22271730
2-chloro-6,12-diphenylchrysene
CID 58501171
5-chloro-2-phenyl-1H-indole-3-carbonitrile
CID 22083583
2-chloro-9,10-di(propan-2-yloxy)anthracene
CID 139930221
9,10-di(butan-2-yloxy)-2-chloroanthracene
CID 139930239
1,2-dichlorobenzene;1,2,4-trichlorobenzene
CID 161216251
ethane;10-ethynyl-N,N-diphenylanthracen-9-amine
CID 145120121
7-chloro-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 147340870
1,2,3-triethynylnaphthalene
CID 139963288
3,5-dichlorophenanthrene
CID 123462675

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9,10-diethynylanthracene?
The IUPAC name of 2-chloro-9,10-diethynylanthracene (CID 21113563) is 2-chloro-9,10-diethynylanthracene.
What is the SMILES notation for 2-chloro-9,10-diethynylanthracene?
The canonical SMILES for 2-chloro-9,10-diethynylanthracene is C#Cc1c2ccccc2c(C#C)c2cc(Cl)ccc12.
What is the InChIKey of 2-chloro-9,10-diethynylanthracene?
The InChIKey is CZQGJWNJLXVQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl/c1-3-13-15-7-5-6-8-16(15)14(4-2)18-11-12(19)9-10-17(13)18/h1-2,5-11H.
What are the key properties of 2-chloro-9,10-diethynylanthracene?
2-chloro-9,10-diethynylanthracene has a molecular weight of 260.72 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9,10-diethynylanthracene is sourced from PubChem (CID 21113563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).