2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene

C18H12 — CID 19931086

IUPAC2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESc1ccc(-c2cc3cc-3c2-c2ccccc2)cc1
InChIInChI=1S/C18H12/c1-3-7-13(8-4-1)16-11-15-12-17(15)18(16)14-9-5-2-6-10-14/h1-12H
InChIKeyHSXNOMZUHLQPKP-UHFFFAOYSA-N
MW228.29 g/mol
LogP5.00
Rot. Bonds2

About 2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene

2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene (PubChem CID 19931086) has the molecular formula C18H12 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene.

Molecular Properties

Compound Name2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene
PubChem CID19931086
Molecular FormulaC18H12
Molecular Weight228.29 g/mol
Exact Mass228.09
IUPAC Name2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESc1ccc(-c2cc3cc-3c2-c2ccccc2)cc1
InChIInChI=1S/C18H12/c1-3-7-13(8-4-1)16-11-15-12-17(15)18(16)14-9-5-2-6-10-14/h1-12H
InChIKeyHSXNOMZUHLQPKP-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.29
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123249258
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CID 177444827
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CID 161142859
2-(3,4,5-triphenylphenyl)naphthalene
CID 54408952
1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene
CID 68955843
4-(2,4,6-triphenylphenyl)-1-[2-[4-(2,4,6-triphenylphenyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium
CID 10796047
4-(2,3,5-triphenylphenyl)benzoic acid
CID 101126682
2-(3-chlorophenyl)-1,3,5-triphenylbenzene
CID 169275191
2-(2-hydroxy-4,6-diphenylphenyl)-3,5-diphenylphenol
CID 19797768
4-(2,4,6-triphenylphenyl)-1-[8-[4-(2,4,6-triphenylphenyl)pyridin-1-ium-1-yl]octyl]pyridin-1-ium
CID 11804241
4-(2,4,6-triphenylphenyl)benzenesulfonic acid
CID 155640355
2-[3,5-bis(1,4-diphenyltriphenylen-2-yl)phenyl]-1,4-diphenyltriphenylene
CID 123450993

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene?
The IUPAC name of 2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene (CID 19931086) is 2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene.
What is the SMILES notation for 2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene?
The canonical SMILES for 2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene is c1ccc(-c2cc3cc-3c2-c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene?
The InChIKey is HSXNOMZUHLQPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12/c1-3-7-13(8-4-1)16-11-15-12-17(15)18(16)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene?
2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene has a molecular weight of 228.29 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene is sourced from PubChem (CID 19931086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).