1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)

C104H88 — CID 158090471

IUPAC1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)
SMILESC.C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C=C(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1.CC=C(c1ccccc1)c1ccccc1.CC=C(c1ccccc1)c1ccccc1.CC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C58H42.3C15H14.CH4/c1-5-13-53(14-6-1)57(54-15-7-2-8-16-54)41-43-21-25-45(26-22-43)47-29-33-49(34-30-47)51-37-39-52(40-38-51)50-35-31-48(32-36-50)46-27-23-44(24-28-46)42-58(55-17-9-3-10-18-55)56-19-11-4-12-20-56;3*1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h1-42H;3*2-12H,1H3;1H4
InChIKeyFOAQJSOHJCIBKB-UHFFFAOYSA-N
MW1337.85 g/mol
LogP28.58
Rot. Bonds16

About 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)

1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene) (PubChem CID 158090471) has the molecular formula C104H88 and a molecular weight of 1337.85 g/mol. Its IUPAC name is 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene).

Molecular Properties

Compound Name1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)
PubChem CID158090471
Molecular FormulaC104H88
Molecular Weight1337.85 g/mol
Exact Mass1336.69
IUPAC Name1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)
SMILESC.C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C=C(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1.CC=C(c1ccccc1)c1ccccc1.CC=C(c1ccccc1)c1ccccc1.CC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C58H42.3C15H14.CH4/c1-5-13-53(14-6-1)57(54-15-7-2-8-16-54)41-43-21-25-45(26-22-43)47-29-33-49(34-30-47)51-37-39-52(40-38-51)50-35-31-48(32-36-50)46-27-23-44(24-28-46)42-58(55-17-9-3-10-18-55)56-19-11-4-12-20-56;3*1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h1-42H;3*2-12H,1H3;1H4
InChIKeyFOAQJSOHJCIBKB-UHFFFAOYSA-N
XLogP28.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001337.85
LogP ≤ 528.58
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

1-(2,2-diphenylethenyl)-4-[2-[4-[4-[2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]phenyl]phenyl]ethenyl]benzene
CID 59965271
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
[4-[2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-phenylethenyl]phenyl]-methylsilane
CID 123788306
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 3380793
CID 173126547
CID 173126547
tetrakis[4-[2-[4-(4-methylphenyl)phenyl]-1-phenylethenyl]phenyl]germane
CID 154407148
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene
CID 158494908
4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
CID 59935150
4-(2,2-diphenylethenyl)-N,N-diphenylaniline;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylaniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-(2-phenylethenyl)aniline;ethane
CID 158855381
9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 58814327

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)?
The IUPAC name of 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene) (CID 158090471) is 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene).
What is the SMILES notation for 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)?
The canonical SMILES for 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene) is C.C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C=C(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1.CC=C(c1ccccc1)c1ccccc1.CC=C(c1ccccc1)c1ccccc1.CC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)?
The InChIKey is FOAQJSOHJCIBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42.3C15H14.CH4/c1-5-13-53(14-6-1)57(54-15-7-2-8-16-54)41-43-21-25-45(26-22-43)47-29-33-49(34-30-47)51-37-39-52(40-38-51)50-35-31-48(32-36-50)46-27-23-44(24-28-46)42-58(55-17-9-3-10-18-55)56-19-11-4-12-20-56;3*1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h1-42H;3*2-12H,1H3;1H4.
What are the key properties of 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)?
1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene) has a molecular weight of 1337.85 g/mol, XLogP of 28.58, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene) is sourced from PubChem (CID 158090471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).