1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene

C21H16 — CID 142424685

IUPAC1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene
SMILESC1=C(c2ccc(-c3ccccc3)cc2)C1c1ccccc1
InChIInChI=1S/C21H16/c1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-15-20(21)18-9-5-2-6-10-18/h1-15,20H
InChIKeyHCDGTZXFYAFOQV-UHFFFAOYSA-N
MW268.36 g/mol
LogP5.53
Rot. Bonds3

About 1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene

1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene (PubChem CID 142424685) has the molecular formula C21H16 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene.

Molecular Properties

Compound Name1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene
PubChem CID142424685
Molecular FormulaC21H16
Molecular Weight268.36 g/mol
Exact Mass268.13
IUPAC Name1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene
SMILESC1=C(c2ccc(-c3ccccc3)cc2)C1c1ccccc1
InChIInChI=1S/C21H16/c1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-15-20(21)18-9-5-2-6-10-18/h1-15,20H
InChIKeyHCDGTZXFYAFOQV-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.36
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-phenylcycloprop-2-en-1-yl)benzene
CID 12828641
1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)-4-phenylbenzene
CID 132584149
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
benzene;tris(1,1'-biphenyl)
CID 162155747
(1S,4S,5S,8S)-2,4,6,8-tetraphenylbicyclo[3.3.1]nona-2,6-diene
CID 11122751
1,3,5-triphenylbenzene
CID 158331433
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,1'-biphenyl;indigane
CID 174363765
1,1'-biphenyl;hydroiodide
CID 66586334
benzene;bis(1,1'-biphenyl);methane
CID 158742993
CID 53446764
CID 53446764

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene?
The IUPAC name of 1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene (CID 142424685) is 1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene.
What is the SMILES notation for 1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene?
The canonical SMILES for 1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene is C1=C(c2ccc(-c3ccccc3)cc2)C1c1ccccc1.
What is the InChIKey of 1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene?
The InChIKey is HCDGTZXFYAFOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16/c1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-15-20(21)18-9-5-2-6-10-18/h1-15,20H.
What are the key properties of 1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene?
1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene has a molecular weight of 268.36 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene is sourced from PubChem (CID 142424685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).