1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethyl]phenyl]benzene

C44H40 — CID 59801312

IUPAC1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethyl]phenyl]benzene
SMILESCc1ccc(C(=Cc2ccc(-c3ccc(CC(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C44H40/c1-31-5-17-39(18-6-31)43(40-19-7-32(2)8-20-40)29-35-13-25-37(26-14-35)38-27-15-36(16-28-38)30-44(41-21-9-33(3)10-22-41)42-23-11-34(4)12-24-42/h5-29,44H,30H2,1-4H3
InChIKeyZQVVVGAQHDORRB-UHFFFAOYSA-N
MW568.80 g/mol
LogP11.55
Rot. Bonds8

About 1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethyl]phenyl]benzene

1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethyl]phenyl]benzene (PubChem CID 59801312) has the molecular formula C44H40 and a molecular weight of 568.80 g/mol. Its IUPAC name is 1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethyl]phenyl]benzene.

Molecular Properties

Compound Name1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethyl]phenyl]benzene
PubChem CID59801312
Molecular FormulaC44H40
Molecular Weight568.80 g/mol
Exact Mass568.31
IUPAC Name1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethyl]phenyl]benzene
SMILESCc1ccc(C(=Cc2ccc(-c3ccc(CC(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C44H40/c1-31-5-17-39(18-6-31)43(40-19-7-32(2)8-20-40)29-35-13-25-37(26-14-35)38-27-15-36(16-28-38)30-44(41-21-9-33(3)10-22-41)42-23-11-34(4)12-24-42/h5-29,44H,30H2,1-4H3
InChIKeyZQVVVGAQHDORRB-UHFFFAOYSA-N
XLogP11.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.80
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetrakis[4-[2-[4-(4-methylphenyl)phenyl]-1-phenylethenyl]phenyl]germane
CID 154407148
N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine
CID 142720916
N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-(2,2-diphenylethenyl)-N,N-diphenylaniline;N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-(2,2-diphenylethyl)-N-(2-methylprop-1-enyl)-N-phenylaniline
CID 159382717
4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline
CID 122484978
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]boronic acid
CID 141350757
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
CID 58991857
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)
CID 158090471
N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54214278

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethyl]phenyl]benzene?
The IUPAC name of 1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethyl]phenyl]benzene (CID 59801312) is 1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethyl]phenyl]benzene.
What is the SMILES notation for 1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethyl]phenyl]benzene?
The canonical SMILES for 1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethyl]phenyl]benzene is Cc1ccc(C(=Cc2ccc(-c3ccc(CC(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethyl]phenyl]benzene?
The InChIKey is ZQVVVGAQHDORRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40/c1-31-5-17-39(18-6-31)43(40-19-7-32(2)8-20-40)29-35-13-25-37(26-14-35)38-27-15-36(16-28-38)30-44(41-21-9-33(3)10-22-41)42-23-11-34(4)12-24-42/h5-29,44H,30H2,1-4H3.
What are the key properties of 1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethyl]phenyl]benzene?
1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethyl]phenyl]benzene has a molecular weight of 568.80 g/mol, XLogP of 11.55, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethyl]phenyl]benzene is sourced from PubChem (CID 59801312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).