2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene

C18H12 — CID 174878589

IUPAC2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
SMILESc1ccc(-c2ccc(-c3cc4ccc3-4)cc2)cc1
InChIInChI=1S/C18H12/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)18-12-16-10-11-17(16)18/h1-12H
InChIKeyANUIECYSWFQQNH-UHFFFAOYSA-N
MW228.29 g/mol
LogP5.00
Rot. Bonds2

About 2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene

2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene (PubChem CID 174878589) has the molecular formula C18H12 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene.

Molecular Properties

Compound Name2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
PubChem CID174878589
Molecular FormulaC18H12
Molecular Weight228.29 g/mol
Exact Mass228.09
IUPAC Name2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
SMILESc1ccc(-c2ccc(-c3cc4ccc3-4)cc2)cc1
InChIInChI=1S/C18H12/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)18-12-16-10-11-17(16)18/h1-12H
InChIKeyANUIECYSWFQQNH-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

11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
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1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
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1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene
CID 143438062
4-(2-methylphenyl)-1,2-diphenylbenzene
CID 59171693
9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372
4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine
CID 157328578
2-[3-[3-(2,4-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171440358
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
4-(2,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene?
The IUPAC name of 2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene (CID 174878589) is 2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene.
What is the SMILES notation for 2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene?
The canonical SMILES for 2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene is c1ccc(-c2ccc(-c3cc4ccc3-4)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene?
The InChIKey is ANUIECYSWFQQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)18-12-16-10-11-17(16)18/h1-12H.
What are the key properties of 2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene?
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-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-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene is sourced from PubChem (CID 174878589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).