2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene

C38H30S — CID 72543299

IUPAC2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene
SMILESCc1ccc(C=Cc2ccc3cc(Sc4ccc5cc(C=Cc6ccc(C)cc6)ccc5c4)ccc3c2)cc1
InChIInChI=1S/C38H30S/c1-27-3-7-29(8-4-27)11-13-31-15-17-35-25-37(21-19-33(35)23-31)39-38-22-20-34-24-32(16-18-36(34)26-38)14-12-30-9-5-28(2)6-10-30/h3-26H,1-2H3
InChIKeyQZPBHFYTOJMNRC-UHFFFAOYSA-N
MW518.73 g/mol
LogP11.10
Rot. Bonds6

About 2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene

2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene (PubChem CID 72543299) has the molecular formula C38H30S and a molecular weight of 518.73 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene
PubChem CID72543299
Molecular FormulaC38H30S
Molecular Weight518.73 g/mol
Exact Mass518.21
IUPAC Name2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene
SMILESCc1ccc(C=Cc2ccc3cc(Sc4ccc5cc(C=Cc6ccc(C)cc6)ccc5c4)ccc3c2)cc1
InChIInChI=1S/C38H30S/c1-27-3-7-29(8-4-27)11-13-31-15-17-35-25-37(21-19-33(35)23-31)39-38-22-20-34-24-32(16-18-36(34)26-38)14-12-30-9-5-28(2)6-10-30/h3-26H,1-2H3
InChIKeyQZPBHFYTOJMNRC-UHFFFAOYSA-N
XLogP11.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.73
LogP ≤ 511.10
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

3-[2-(4-methylphenyl)ethenyl]-7-[3-[2-(4-methylphenyl)ethenyl]isoquinolin-7-yl]sulfanylisoquinoline
CID 72543278
2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]oxynaphthalene
CID 72543334
4-methyl-N-[4-[2-[6-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 58635015
2-methyl-6-[2-[4-[4-[2-(6-methylnaphthalen-2-yl)ethenyl]phenoxy]phenyl]ethenyl]naphthalene
CID 72543287
2-methyl-7-[(E)-2-(7-methylnaphthalen-2-yl)ethenyl]naphthalene
CID 6109061
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane
CID 90817407
2-[(E)-2-(4-ethylphenyl)ethenyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]anthracene
CID 88860115
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene?
The IUPAC name of 2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene (CID 72543299) is 2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene.
What is the SMILES notation for 2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene?
The canonical SMILES for 2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene is Cc1ccc(C=Cc2ccc3cc(Sc4ccc5cc(C=Cc6ccc(C)cc6)ccc5c4)ccc3c2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene?
The InChIKey is QZPBHFYTOJMNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30S/c1-27-3-7-29(8-4-27)11-13-31-15-17-35-25-37(21-19-33(35)23-31)39-38-22-20-34-24-32(16-18-36(34)26-38)14-12-30-9-5-28(2)6-10-30/h3-26H,1-2H3.
What are the key properties of 2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene?
2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene has a molecular weight of 518.73 g/mol, XLogP of 11.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene is sourced from PubChem (CID 72543299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).