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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Related Compounds

1,4-bis[(Z)-2-(4-methylphenyl)ethenyl]naphthalene
CID 147563124
1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 118370759
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine
CID 90896917
1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene
CID 123804574
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione
CID 15152091
2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene
CID 177422540
1-[3,5-bis[3-[(E)-2-(4-methylphenyl)ethenyl]azulen-1-yl]phenyl]-3-[(E)-2-(4-methylphenyl)ethenyl]azulene
CID 101271450
9,10-dimethylanthracene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene
CID 159662189
4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one
CID 102021642

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).