1,8-bis[2-[4-(2,2-diphenylethenyl)-3-methylphenyl]ethenyl]naphthalene

C56H44 — CID 59100453

IUPAC1,8-bis[2-[4-(2,2-diphenylethenyl)-3-methylphenyl]ethenyl]naphthalene
SMILESCc1cc(C=Cc2cccc3cccc(C=Cc4ccc(C=C(c5ccccc5)c5ccccc5)c(C)c4)c23)ccc1C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C56H44/c1-41-37-43(31-35-52(41)39-54(45-17-7-3-8-18-45)46-19-9-4-10-20-46)29-33-50-27-15-25-49-26-16-28-51(56(49)50)34-30-44-32-36-53(42(2)38-44)40-55(47-21-11-5-12-22-47)48-23-13-6-14-24-48/h3-40H,1-2H3
InChIKeyPILKMUBWFICQMT-UHFFFAOYSA-N
MW716.97 g/mol
LogP14.98
Rot. Bonds10

About 1,8-bis[2-[4-(2,2-diphenylethenyl)-3-methylphenyl]ethenyl]naphthalene

1,8-bis[2-[4-(2,2-diphenylethenyl)-3-methylphenyl]ethenyl]naphthalene (PubChem CID 59100453) has the molecular formula C56H44 and a molecular weight of 716.97 g/mol. Its IUPAC name is 1,8-bis[2-[4-(2,2-diphenylethenyl)-3-methylphenyl]ethenyl]naphthalene.

Molecular Properties

Compound Name1,8-bis[2-[4-(2,2-diphenylethenyl)-3-methylphenyl]ethenyl]naphthalene
PubChem CID59100453
Molecular FormulaC56H44
Molecular Weight716.97 g/mol
Exact Mass716.34
IUPAC Name1,8-bis[2-[4-(2,2-diphenylethenyl)-3-methylphenyl]ethenyl]naphthalene
SMILESCc1cc(C=Cc2cccc3cccc(C=Cc4ccc(C=C(c5ccccc5)c5ccccc5)c(C)c4)c23)ccc1C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C56H44/c1-41-37-43(31-35-52(41)39-54(45-17-7-3-8-18-45)46-19-9-4-10-20-46)29-33-50-27-15-25-49-26-16-28-51(56(49)50)34-30-44-32-36-53(42(2)38-44)40-55(47-21-11-5-12-22-47)48-23-13-6-14-24-48/h3-40H,1-2H3
InChIKeyPILKMUBWFICQMT-UHFFFAOYSA-N
XLogP14.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.97
LogP ≤ 514.98
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 1,8-bis[2-[4-(2,2-diphenylethenyl)-3-methylphenyl]ethenyl]naphthalene?
The IUPAC name of 1,8-bis[2-[4-(2,2-diphenylethenyl)-3-methylphenyl]ethenyl]naphthalene (CID 59100453) is 1,8-bis[2-[4-(2,2-diphenylethenyl)-3-methylphenyl]ethenyl]naphthalene.
What is the SMILES notation for 1,8-bis[2-[4-(2,2-diphenylethenyl)-3-methylphenyl]ethenyl]naphthalene?
The canonical SMILES for 1,8-bis[2-[4-(2,2-diphenylethenyl)-3-methylphenyl]ethenyl]naphthalene is Cc1cc(C=Cc2cccc3cccc(C=Cc4ccc(C=C(c5ccccc5)c5ccccc5)c(C)c4)c23)ccc1C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,8-bis[2-[4-(2,2-diphenylethenyl)-3-methylphenyl]ethenyl]naphthalene?
The InChIKey is PILKMUBWFICQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44/c1-41-37-43(31-35-52(41)39-54(45-17-7-3-8-18-45)46-19-9-4-10-20-46)29-33-50-27-15-25-49-26-16-28-51(56(49)50)34-30-44-32-36-53(42(2)38-44)40-55(47-21-11-5-12-22-47)48-23-13-6-14-24-48/h3-40H,1-2H3.
What are the key properties of 1,8-bis[2-[4-(2,2-diphenylethenyl)-3-methylphenyl]ethenyl]naphthalene?
1,8-bis[2-[4-(2,2-diphenylethenyl)-3-methylphenyl]ethenyl]naphthalene has a molecular weight of 716.97 g/mol, XLogP of 14.98, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis[2-[4-(2,2-diphenylethenyl)-3-methylphenyl]ethenyl]naphthalene is sourced from PubChem (CID 59100453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).