1-[2-(4-methylphenyl)ethenyl]-5-[5-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]oxynaphthalene

C38H30O — CID 72543301

IUPAC1-[2-(4-methylphenyl)ethenyl]-5-[5-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]oxynaphthalene
SMILESCc1ccc(C=Cc2cccc3c(Oc4cccc5c(C=Cc6ccc(C)cc6)cccc45)cccc23)cc1
InChIInChI=1S/C38H30O/c1-27-15-19-29(20-16-27)23-25-31-7-3-11-35-33(31)9-5-13-37(35)39-38-14-6-10-34-32(8-4-12-36(34)38)26-24-30-21-17-28(2)18-22-30/h3-26H,1-2H3
InChIKeyKIMRDUWQBCLJPK-UHFFFAOYSA-N
MW502.66 g/mol
LogP10.74
Rot. Bonds6

About 1-[2-(4-methylphenyl)ethenyl]-5-[5-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]oxynaphthalene

1-[2-(4-methylphenyl)ethenyl]-5-[5-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]oxynaphthalene (PubChem CID 72543301) has the molecular formula C38H30O and a molecular weight of 502.66 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)ethenyl]-5-[5-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]oxynaphthalene.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)ethenyl]-5-[5-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]oxynaphthalene
PubChem CID72543301
Molecular FormulaC38H30O
Molecular Weight502.66 g/mol
Exact Mass502.23
IUPAC Name1-[2-(4-methylphenyl)ethenyl]-5-[5-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]oxynaphthalene
SMILESCc1ccc(C=Cc2cccc3c(Oc4cccc5c(C=Cc6ccc(C)cc6)cccc45)cccc23)cc1
InChIInChI=1S/C38H30O/c1-27-15-19-29(20-16-27)23-25-31-7-3-11-35-33(31)9-5-13-37(35)39-38-14-6-10-34-32(8-4-12-36(34)38)26-24-30-21-17-28(2)18-22-30/h3-26H,1-2H3
InChIKeyKIMRDUWQBCLJPK-UHFFFAOYSA-N
XLogP10.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[(Z)-2-(4-methylphenyl)ethenyl]naphthalene
CID 147563124
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]aniline
CID 58933310
[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol
CID 160865394
[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol
CID 157192807
1,5-bis(4-methylphenoxy)naphthalene;methane
CID 159940982
4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline
CID 134974449
N,N-diethyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 58518835
1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
CID 139196261
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 10036098
1,2-diethoxy-3-(2-phenylethenyl)benzene
CID 67865300

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)ethenyl]-5-[5-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]oxynaphthalene?
The IUPAC name of 1-[2-(4-methylphenyl)ethenyl]-5-[5-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]oxynaphthalene (CID 72543301) is 1-[2-(4-methylphenyl)ethenyl]-5-[5-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]oxynaphthalene.
What is the SMILES notation for 1-[2-(4-methylphenyl)ethenyl]-5-[5-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]oxynaphthalene?
The canonical SMILES for 1-[2-(4-methylphenyl)ethenyl]-5-[5-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]oxynaphthalene is Cc1ccc(C=Cc2cccc3c(Oc4cccc5c(C=Cc6ccc(C)cc6)cccc45)cccc23)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)ethenyl]-5-[5-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]oxynaphthalene?
The InChIKey is KIMRDUWQBCLJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30O/c1-27-15-19-29(20-16-27)23-25-31-7-3-11-35-33(31)9-5-13-37(35)39-38-14-6-10-34-32(8-4-12-36(34)38)26-24-30-21-17-28(2)18-22-30/h3-26H,1-2H3.
What are the key properties of 1-[2-(4-methylphenyl)ethenyl]-5-[5-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]oxynaphthalene?
1-[2-(4-methylphenyl)ethenyl]-5-[5-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]oxynaphthalene has a molecular weight of 502.66 g/mol, XLogP of 10.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)ethenyl]-5-[5-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]oxynaphthalene is sourced from PubChem (CID 72543301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).