4-[2-(2-phenylphenyl)phenyl]bicyclo[5.1.0]octa-2,4-diene

C26H22 — CID 145066197

IUPAC4-[2-(2-phenylphenyl)phenyl]bicyclo[5.1.0]octa-2,4-diene
SMILESC1=CC2CC2CC=C1c1ccccc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C26H22/c1-2-8-19(9-3-1)23-10-4-6-12-25(23)26-13-7-5-11-24(26)20-14-16-21-18-22(21)17-15-20/h1-16,21-22H,17-18H2
InChIKeyXGNTUKDLSXBQQX-UHFFFAOYSA-N
MW334.46 g/mol
LogP7.00
Rot. Bonds3

About 4-[2-(2-phenylphenyl)phenyl]bicyclo[5.1.0]octa-2,4-diene

4-[2-(2-phenylphenyl)phenyl]bicyclo[5.1.0]octa-2,4-diene (PubChem CID 145066197) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-[2-(2-phenylphenyl)phenyl]bicyclo[5.1.0]octa-2,4-diene.

Molecular Properties

Compound Name4-[2-(2-phenylphenyl)phenyl]bicyclo[5.1.0]octa-2,4-diene
PubChem CID145066197
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name4-[2-(2-phenylphenyl)phenyl]bicyclo[5.1.0]octa-2,4-diene
SMILESC1=CC2CC2CC=C1c1ccccc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C26H22/c1-2-8-19(9-3-1)23-10-4-6-12-25(23)26-13-7-5-11-24(26)20-14-16-21-18-22(21)17-15-20/h1-16,21-22H,17-18H2
InChIKeyXGNTUKDLSXBQQX-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
3-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-[2-[2-[3-[6-(2-phenylphenyl)pyridazin-3-yl]phenyl]phenyl]phenyl]phenyl]pyridazine
CID 170241522
CID 69011285
CID 69011285
4-[2-[2-(2-phenylphenyl)phenyl]phenyl]cyclohexa-2,4-diene-1,1-dicarbaldehyde
CID 171776171
(5R,6R)-5,6-dimethyl-2-phenylcyclohepta-1,3-diene
CID 157468333
3-[2-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]phenyl]benzonitrile
CID 122431693
(4-ethylcyclohexa-1,5-dien-1-yl)benzene
CID 143614396
1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene
CID 142604826
[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005523
2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 134219894
2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one
CID 129170615
4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-2,4-dien-1-yl]benzonitrile
CID 135247181

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-phenylphenyl)phenyl]bicyclo[5.1.0]octa-2,4-diene?
The IUPAC name of 4-[2-(2-phenylphenyl)phenyl]bicyclo[5.1.0]octa-2,4-diene (CID 145066197) is 4-[2-(2-phenylphenyl)phenyl]bicyclo[5.1.0]octa-2,4-diene.
What is the SMILES notation for 4-[2-(2-phenylphenyl)phenyl]bicyclo[5.1.0]octa-2,4-diene?
The canonical SMILES for 4-[2-(2-phenylphenyl)phenyl]bicyclo[5.1.0]octa-2,4-diene is C1=CC2CC2CC=C1c1ccccc1-c1ccccc1-c1ccccc1.
What is the InChIKey of 4-[2-(2-phenylphenyl)phenyl]bicyclo[5.1.0]octa-2,4-diene?
The InChIKey is XGNTUKDLSXBQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22/c1-2-8-19(9-3-1)23-10-4-6-12-25(23)26-13-7-5-11-24(26)20-14-16-21-18-22(21)17-15-20/h1-16,21-22H,17-18H2.
What are the key properties of 4-[2-(2-phenylphenyl)phenyl]bicyclo[5.1.0]octa-2,4-diene?
4-[2-(2-phenylphenyl)phenyl]bicyclo[5.1.0]octa-2,4-diene has a molecular weight of 334.46 g/mol, XLogP of 7.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-phenylphenyl)phenyl]bicyclo[5.1.0]octa-2,4-diene is sourced from PubChem (CID 145066197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).