1-benzhydryl-4-(2-phenylethenyl)benzene

C27H22 — CID 90954362

IUPAC1-benzhydryl-4-(2-phenylethenyl)benzene
SMILESC(=Cc1ccc(C(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C27H22/c1-4-10-22(11-5-1)16-17-23-18-20-26(21-19-23)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21,27H
InChIKeyZOJXRRLRRVHKQJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP7.04
Rot. Bonds5

About 1-benzhydryl-4-(2-phenylethenyl)benzene

1-benzhydryl-4-(2-phenylethenyl)benzene (PubChem CID 90954362) has the molecular formula C27H22 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-benzhydryl-4-(2-phenylethenyl)benzene.

Molecular Properties

Compound Name1-benzhydryl-4-(2-phenylethenyl)benzene
PubChem CID90954362
Molecular FormulaC27H22
Molecular Weight346.47 g/mol
Exact Mass346.17
IUPAC Name1-benzhydryl-4-(2-phenylethenyl)benzene
SMILESC(=Cc1ccc(C(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C27H22/c1-4-10-22(11-5-1)16-17-23-18-20-26(21-19-23)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21,27H
InChIKeyZOJXRRLRRVHKQJ-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
lithium benzhydrylbenzene
CID 18381038
CID 70567885
CID 70567885
CID 70569152
CID 70569152
azane;benzhydrylbenzene
CID 70581647
[4-[2-(4-benzhydrylphenyl)ethenyl]phenyl] prop-2-enoate
CID 58203279
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
4-[(E)-2-[2-[4-[(E)-2-(4-benzhydrylphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-diphenylaniline
CID 140822198
1,4-bis(4-benzhydrylphenyl)benzene;ethane
CID 159665111
1-iodo-4-[(4-iodophenyl)-phenylmethyl]benzene
CID 138659961

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(2-phenylethenyl)benzene?
The IUPAC name of 1-benzhydryl-4-(2-phenylethenyl)benzene (CID 90954362) is 1-benzhydryl-4-(2-phenylethenyl)benzene.
What is the SMILES notation for 1-benzhydryl-4-(2-phenylethenyl)benzene?
The canonical SMILES for 1-benzhydryl-4-(2-phenylethenyl)benzene is C(=Cc1ccc(C(c2ccccc2)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-4-(2-phenylethenyl)benzene?
The InChIKey is ZOJXRRLRRVHKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22/c1-4-10-22(11-5-1)16-17-23-18-20-26(21-19-23)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21,27H.
What are the key properties of 1-benzhydryl-4-(2-phenylethenyl)benzene?
1-benzhydryl-4-(2-phenylethenyl)benzene has a molecular weight of 346.47 g/mol, XLogP of 7.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(2-phenylethenyl)benzene is sourced from PubChem (CID 90954362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).