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

C54H44 — CID 173100492

IUPAC1,4-bis[3-(4-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]phenyl]naphthalene
SMILESCc1ccc(C=Cc2c(-c3ccc(C)cc3)cccc2-c2ccc(-c3cccc(-c4ccc(C)cc4)c3C=Cc3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C54H44/c1-37-15-23-41(24-16-37)27-33-51-45(43-29-19-39(3)20-30-43)11-7-13-49(51)53-35-36-54(48-10-6-5-9-47(48)53)50-14-8-12-46(44-31-21-40(4)22-32-44)52(50)34-28-42-25-17-38(2)18-26-42/h5-36H,1-4H3
InChIKeyTUXWVVXRSXNSCJ-UHFFFAOYSA-N
MW692.95 g/mol
LogP15.08
Rot. Bonds8

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

1,4-bis[3-(4-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]phenyl]naphthalene (PubChem CID 173100492) has the molecular formula C54H44 and a molecular weight of 692.95 g/mol. Its IUPAC name is 1,4-bis[3-(4-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]phenyl]naphthalene.

Molecular Properties

Compound Name1,4-bis[3-(4-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]phenyl]naphthalene
PubChem CID173100492
Molecular FormulaC54H44
Molecular Weight692.95 g/mol
Exact Mass692.34
IUPAC Name1,4-bis[3-(4-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]phenyl]naphthalene
SMILESCc1ccc(C=Cc2c(-c3ccc(C)cc3)cccc2-c2ccc(-c3cccc(-c4ccc(C)cc4)c3C=Cc3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C54H44/c1-37-15-23-41(24-16-37)27-33-51-45(43-29-19-39(3)20-30-43)11-7-13-49(51)53-35-36-54(48-10-6-5-9-47(48)53)50-14-8-12-46(44-31-21-40(4)22-32-44)52(50)34-28-42-25-17-38(2)18-26-42/h5-36H,1-4H3
InChIKeyTUXWVVXRSXNSCJ-UHFFFAOYSA-N
XLogP15.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.95
LogP ≤ 515.08
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 1,4-bis[3-(4-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]phenyl]naphthalene?
The IUPAC name of 1,4-bis[3-(4-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]phenyl]naphthalene (CID 173100492) is 1,4-bis[3-(4-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]phenyl]naphthalene.
What is the SMILES notation for 1,4-bis[3-(4-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]phenyl]naphthalene?
The canonical SMILES for 1,4-bis[3-(4-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]phenyl]naphthalene is Cc1ccc(C=Cc2c(-c3ccc(C)cc3)cccc2-c2ccc(-c3cccc(-c4ccc(C)cc4)c3C=Cc3ccc(C)cc3)c3ccccc23)cc1.
What is the InChIKey of 1,4-bis[3-(4-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]phenyl]naphthalene?
The InChIKey is TUXWVVXRSXNSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44/c1-37-15-23-41(24-16-37)27-33-51-45(43-29-19-39(3)20-30-43)11-7-13-49(51)53-35-36-54(48-10-6-5-9-47(48)53)50-14-8-12-46(44-31-21-40(4)22-32-44)52(50)34-28-42-25-17-38(2)18-26-42/h5-36H,1-4H3.
What are the key properties of 1,4-bis[3-(4-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]phenyl]naphthalene?
1,4-bis[3-(4-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]phenyl]naphthalene has a molecular weight of 692.95 g/mol, XLogP of 15.08, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[3-(4-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]phenyl]naphthalene is sourced from PubChem (CID 173100492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).