1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene

C81H60 — CID 23400804

IUPAC1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(C(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C81H60/c1-9-25-65(26-10-1)77(66-27-11-2-12-28-66)57-61-41-49-73(50-42-61)81(74-51-43-62(44-52-74)58-78(67-29-13-3-14-30-67)68-31-15-4-16-32-68,75-53-45-63(46-54-75)59-79(69-33-17-5-18-34-69)70-35-19-6-20-36-70)76-55-47-64(48-56-76)60-80(71-37-21-7-22-38-71)72-39-23-8-24-40-72/h1-60H
InChIKeyNBBFNTWSZOJLMV-UHFFFAOYSA-N
MW1033.37 g/mol
LogP20.42
Rot. Bonds16

About 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene

1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene (PubChem CID 23400804) has the molecular formula C81H60 and a molecular weight of 1033.37 g/mol. Its IUPAC name is 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene
PubChem CID23400804
Molecular FormulaC81H60
Molecular Weight1033.37 g/mol
Exact Mass1032.47
IUPAC Name1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(C(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C81H60/c1-9-25-65(26-10-1)77(66-27-11-2-12-28-66)57-61-41-49-73(50-42-61)81(74-51-43-62(44-52-74)58-78(67-29-13-3-14-30-67)68-31-15-4-16-32-68,75-53-45-63(46-54-75)59-79(69-33-17-5-18-34-69)70-35-19-6-20-36-70)76-55-47-64(48-56-76)60-80(71-37-21-7-22-38-71)72-39-23-8-24-40-72/h1-60H
InChIKeyNBBFNTWSZOJLMV-UHFFFAOYSA-N
XLogP20.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001033.37
LogP ≤ 520.42
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

1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
CID 173126547
CID 173126547
CID 172843956
CID 172843956
1-(2,2-diphenylethenyl)-4-[2-[4-[4-[2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]phenyl]phenyl]ethenyl]benzene
CID 59965271
2,3-bis[2-[4-[2-(4-tert-butylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
CID 59100430
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
(E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile
CID 144583765
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 3380793
1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)
CID 158090471
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene
CID 156672934

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene?
The IUPAC name of 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene (CID 23400804) is 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene.
What is the SMILES notation for 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene?
The canonical SMILES for 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene is C(=C(c1ccccc1)c1ccccc1)c1ccc(C(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene?
The InChIKey is NBBFNTWSZOJLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H60/c1-9-25-65(26-10-1)77(66-27-11-2-12-28-66)57-61-41-49-73(50-42-61)81(74-51-43-62(44-52-74)58-78(67-29-13-3-14-30-67)68-31-15-4-16-32-68,75-53-45-63(46-54-75)59-79(69-33-17-5-18-34-69)70-35-19-6-20-36-70)76-55-47-64(48-56-76)60-80(71-37-21-7-22-38-71)72-39-23-8-24-40-72/h1-60H.
What are the key properties of 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene?
1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene has a molecular weight of 1033.37 g/mol, XLogP of 20.42, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene is sourced from PubChem (CID 23400804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).