2,3,4-tris(4-tert-butylphenyl)-1,5-bis[4-(1,2,2-triphenylethenyl)phenyl]benzene

C88H78 — CID 132596356

IUPAC2,3,4-tris(4-tert-butylphenyl)-1,5-bis[4-(1,2,2-triphenylethenyl)phenyl]benzene
SMILESCC(C)(C)c1ccc(-c2c(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)c(-c3ccc(C(C)(C)C)cc3)c2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C88H78/c1-86(2,3)74-54-48-71(49-55-74)83-77(61-40-44-69(45-41-61)81(67-36-24-14-25-37-67)79(63-28-16-10-17-29-63)64-30-18-11-19-31-64)60-78(84(72-50-56-75(57-51-72)87(4,5)6)85(83)73-52-58-76(59-53-73)88(7,8)9)62-42-46-70(47-43-62)82(68-38-26-15-27-39-68)80(65-32-20-12-21-33-65)66-34-22-13-23-35-66/h10-60H,1-9H3
InChIKeyGXNHQIHFYIWCSL-UHFFFAOYSA-N
MW1135.59 g/mol
LogP23.93
Rot. Bonds13

About 2,3,4-tris(4-tert-butylphenyl)-1,5-bis[4-(1,2,2-triphenylethenyl)phenyl]benzene

2,3,4-tris(4-tert-butylphenyl)-1,5-bis[4-(1,2,2-triphenylethenyl)phenyl]benzene (PubChem CID 132596356) has the molecular formula C88H78 and a molecular weight of 1135.59 g/mol. Its IUPAC name is 2,3,4-tris(4-tert-butylphenyl)-1,5-bis[4-(1,2,2-triphenylethenyl)phenyl]benzene.

Molecular Properties

Compound Name2,3,4-tris(4-tert-butylphenyl)-1,5-bis[4-(1,2,2-triphenylethenyl)phenyl]benzene
PubChem CID132596356
Molecular FormulaC88H78
Molecular Weight1135.59 g/mol
Exact Mass1134.61
IUPAC Name2,3,4-tris(4-tert-butylphenyl)-1,5-bis[4-(1,2,2-triphenylethenyl)phenyl]benzene
SMILESCC(C)(C)c1ccc(-c2c(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)c(-c3ccc(C(C)(C)C)cc3)c2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C88H78/c1-86(2,3)74-54-48-71(49-55-74)83-77(61-40-44-69(45-41-61)81(67-36-24-14-25-37-67)79(63-28-16-10-17-29-63)64-30-18-11-19-31-64)60-78(84(72-50-56-75(57-51-72)87(4,5)6)85(83)73-52-58-76(59-53-73)88(7,8)9)62-42-46-70(47-43-62)82(68-38-26-15-27-39-68)80(65-32-20-12-21-33-65)66-34-22-13-23-35-66/h10-60H,1-9H3
InChIKeyGXNHQIHFYIWCSL-UHFFFAOYSA-N
XLogP23.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001135.59
LogP ≤ 523.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-tris(4-tert-butylphenyl)-1,5-bis[4-(1,2,2-triphenylethenyl)phenyl]benzene?
The IUPAC name of 2,3,4-tris(4-tert-butylphenyl)-1,5-bis[4-(1,2,2-triphenylethenyl)phenyl]benzene (CID 132596356) is 2,3,4-tris(4-tert-butylphenyl)-1,5-bis[4-(1,2,2-triphenylethenyl)phenyl]benzene.
What is the SMILES notation for 2,3,4-tris(4-tert-butylphenyl)-1,5-bis[4-(1,2,2-triphenylethenyl)phenyl]benzene?
The canonical SMILES for 2,3,4-tris(4-tert-butylphenyl)-1,5-bis[4-(1,2,2-triphenylethenyl)phenyl]benzene is CC(C)(C)c1ccc(-c2c(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)c(-c3ccc(C(C)(C)C)cc3)c2-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2,3,4-tris(4-tert-butylphenyl)-1,5-bis[4-(1,2,2-triphenylethenyl)phenyl]benzene?
The InChIKey is GXNHQIHFYIWCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H78/c1-86(2,3)74-54-48-71(49-55-74)83-77(61-40-44-69(45-41-61)81(67-36-24-14-25-37-67)79(63-28-16-10-17-29-63)64-30-18-11-19-31-64)60-78(84(72-50-56-75(57-51-72)87(4,5)6)85(83)73-52-58-76(59-53-73)88(7,8)9)62-42-46-70(47-43-62)82(68-38-26-15-27-39-68)80(65-32-20-12-21-33-65)66-34-22-13-23-35-66/h10-60H,1-9H3.
What are the key properties of 2,3,4-tris(4-tert-butylphenyl)-1,5-bis[4-(1,2,2-triphenylethenyl)phenyl]benzene?
2,3,4-tris(4-tert-butylphenyl)-1,5-bis[4-(1,2,2-triphenylethenyl)phenyl]benzene has a molecular weight of 1135.59 g/mol, XLogP of 23.93, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tris(4-tert-butylphenyl)-1,5-bis[4-(1,2,2-triphenylethenyl)phenyl]benzene is sourced from PubChem (CID 132596356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).