as-indacene;benzene

C18H14 — CID 161093559

IUPACas-indacene;benzene
SMILESC1=Cc2c3c(ccc2=C1)=CC=C3.c1ccccc1
InChIInChI=1S/C12H8.C6H6/c1-3-9-7-8-10-4-2-6-12(10)11(9)5-1;1-2-4-6-5-3-1/h1-8H;1-6H
InChIKeyUHMMISSOGDTPMZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.99
Rot. Bonds

About as-indacene;benzene

as-indacene;benzene (PubChem CID 161093559) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is as-indacene;benzene.

Molecular Properties

Compound Nameas-indacene;benzene
PubChem CID161093559
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Nameas-indacene;benzene
SMILESC1=Cc2c3c(ccc2=C1)=CC=C3.c1ccccc1
InChIInChI=1S/C12H8.C6H6/c1-3-9-7-8-10-4-2-6-12(10)11(9)5-1;1-2-4-6-5-3-1/h1-8H;1-6H
InChIKeyUHMMISSOGDTPMZ-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Benzene--ethene (1/1)
CID 18371976
1H-borole, 2,3-dihydro-1-phenyl-
CID 642720
Benzene, (2-cyclohexen-1-ylseleno)-
CID 11746649
1-Phenyltellanylbuta-1,3-dienyltellanylbenzene
CID 12179716
3,4-Dimethyl-1,1-diphenyl-2,5-dihydro-1H-germole
CID 13253323
2,3,4,5-Tetramethyl-1-phenylstibole
CID 14026310
2,3,4,5-Tetramethyl-1-phenylbismole
CID 14026311
2-[Bis(phenylselanyl)methylidene]-1,3-diselenole
CID 14114702
CID 134899325
CID 134899325
Phenylborine
CID 15903278
Benzene benzene
CID 18519961
1-Phenylbora-2,5-cyclohexadiene
CID 23322307

Frequently Asked Questions

What is the IUPAC name of as-indacene;benzene?
The IUPAC name of as-indacene;benzene (CID 161093559) is as-indacene;benzene.
What is the SMILES notation for as-indacene;benzene?
The canonical SMILES for as-indacene;benzene is C1=Cc2c3c(ccc2=C1)=CC=C3.c1ccccc1.
What is the InChIKey of as-indacene;benzene?
The InChIKey is UHMMISSOGDTPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.C6H6/c1-3-9-7-8-10-4-2-6-12(10)11(9)5-1;1-2-4-6-5-3-1/h1-8H;1-6H.
What are the key properties of as-indacene;benzene?
as-indacene;benzene has a molecular weight of 230.31 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for as-indacene;benzene is sourced from PubChem (CID 161093559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).