1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene

C27H22 — CID 145452335

IUPAC1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene
SMILESC=C(C)c1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1
InChIInChI=1S/C27H22/c1-20(2)23-14-9-15-24(16-23)27-18-25(21-10-5-3-6-11-21)17-26(19-27)22-12-7-4-8-13-22/h3-19H,1H2,2H3
InChIKeyFSIPNIYHVHXDPH-UHFFFAOYSA-N
MW346.47 g/mol
LogP7.72
Rot. Bonds4

About 1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene

1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene (PubChem CID 145452335) has the molecular formula C27H22 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene.

Molecular Properties

Compound Name1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene
PubChem CID145452335
Molecular FormulaC27H22
Molecular Weight346.47 g/mol
Exact Mass346.17
IUPAC Name1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene
SMILESC=C(C)c1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1
InChIInChI=1S/C27H22/c1-20(2)23-14-9-15-24(16-23)27-18-25(21-10-5-3-6-11-21)17-26(19-27)22-12-7-4-8-13-22/h3-19H,1H2,2H3
InChIKeyFSIPNIYHVHXDPH-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[3-[3-[1-[3,5-bis[3-(3-phenylbenzoyl)phenyl]phenyl]ethenyl]-5-[3-(3-phenylbenzoyl)phenyl]phenyl]phenyl]-(3-phenylphenyl)methanone
CID 89110341
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide
CID 142515838
prop-1-en-2-ylbenzene;silane
CID 174724970
1,3,5-tris[3,5-bis(prop-1-en-2-yl)phenyl]benzene
CID 101246721
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone
CID 58299054
[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-(3,5-diphenylphenyl)methanone
CID 58299161
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
bis(1,3-diphenylbenzene);ethane
CID 144938975

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene?
The IUPAC name of 1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene (CID 145452335) is 1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene.
What is the SMILES notation for 1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene?
The canonical SMILES for 1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene is C=C(C)c1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1.
What is the InChIKey of 1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene?
The InChIKey is FSIPNIYHVHXDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22/c1-20(2)23-14-9-15-24(16-23)27-18-25(21-10-5-3-6-11-21)17-26(19-27)22-12-7-4-8-13-22/h3-19H,1H2,2H3.
What are the key properties of 1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene?
1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene has a molecular weight of 346.47 g/mol, XLogP of 7.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene is sourced from PubChem (CID 145452335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).