8-ethynylfluoranthene

C18H10 — CID 15808436

IUPAC8-ethynylfluoranthene
SMILESC#Cc1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C18H10/c1-2-12-9-10-14-15-7-3-5-13-6-4-8-16(18(13)15)17(14)11-12/h1,3-11H
InChIKeyIBUCBVCVXONATF-UHFFFAOYSA-N
MW226.28 g/mol
LogP4.47
Rot. Bonds

About 8-ethynylfluoranthene

8-ethynylfluoranthene (PubChem CID 15808436) has the molecular formula C18H10 and a molecular weight of 226.28 g/mol. Its IUPAC name is 8-ethynylfluoranthene.

Molecular Properties

Compound Name8-ethynylfluoranthene
PubChem CID15808436
Molecular FormulaC18H10
Molecular Weight226.28 g/mol
Exact Mass226.08
IUPAC Name8-ethynylfluoranthene
SMILESC#Cc1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C18H10/c1-2-12-9-10-14-15-7-3-5-13-6-4-8-16(18(13)15)17(14)11-12/h1,3-11H
InChIKeyIBUCBVCVXONATF-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 54.47
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

fluoranthene
CID 139203734
8-chlorofluoranthene
CID 15737453
benzo[k]fluoranthene;ethane
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N-phenylfluoranthen-8-amine
CID 12546982
2-ethynyl-5,5-diphenyldibenzothiophene
CID 134201766
6-ethynyl-1-methylnaphthalene
CID 157097712
ethane;fluoranthene;triphenylene
CID 160720447
4,11-diethynylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 102226380
8-(2-phenylpropan-2-yl)fluoranthene
CID 153450048
2-(2-carboxy-4-ethynylphenyl)-5-ethynylbenzoic acid
CID 22140181
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
fluoranthene;toluene
CID 173324369

Frequently Asked Questions

What is the IUPAC name of 8-ethynylfluoranthene?
The IUPAC name of 8-ethynylfluoranthene (CID 15808436) is 8-ethynylfluoranthene.
What is the SMILES notation for 8-ethynylfluoranthene?
The canonical SMILES for 8-ethynylfluoranthene is C#Cc1ccc2c(c1)-c1cccc3cccc-2c13.
What is the InChIKey of 8-ethynylfluoranthene?
The InChIKey is IBUCBVCVXONATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10/c1-2-12-9-10-14-15-7-3-5-13-6-4-8-16(18(13)15)17(14)11-12/h1,3-11H.
What are the key properties of 8-ethynylfluoranthene?
8-ethynylfluoranthene has a molecular weight of 226.28 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethynylfluoranthene is sourced from PubChem (CID 15808436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).