1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene

C22H22 — CID 173240821

IUPAC1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene
SMILESCc1c(C)c(C)c2cc(C=Cc3ccccc3)ccc2c1C
InChIInChI=1S/C22H22/c1-15-16(2)18(4)22-14-20(12-13-21(22)17(15)3)11-10-19-8-6-5-7-9-19/h5-14H,1-4H3
InChIKeyIBJQLCVHVAJWNH-UHFFFAOYSA-N
MW286.42 g/mol
LogP6.24
Rot. Bonds2

About 1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene

1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene (PubChem CID 173240821) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene
PubChem CID173240821
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene
SMILESCc1c(C)c(C)c2cc(C=Cc3ccccc3)ccc2c1C
InChIInChI=1S/C22H22/c1-15-16(2)18(4)22-14-20(12-13-21(22)17(15)3)11-10-19-8-6-5-7-9-19/h5-14H,1-4H3
InChIKeyIBJQLCVHVAJWNH-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.24
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

9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene
CID 76563716
9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine
CID 59575076
4,11-bis(2-phenylethenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 76653841
3-[(Z)-2-phenylethenyl]chrysene
CID 14241298
10-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile
CID 89242594
9,10-dimethylanthracene-2-carbaldehyde
CID 135149055
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
(2-methylphenyl)-[2-methyl-4-(2-phenylethenyl)phenyl]phosphane
CID 68912832
2-methyl-5-(2-phenylethenyl)benzene-1,3-diol
CID 68629496
2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene
CID 177422540
CID 70567885
CID 70567885
CID 70569152
CID 70569152

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene?
The IUPAC name of 1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene (CID 173240821) is 1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene.
What is the SMILES notation for 1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene?
The canonical SMILES for 1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene is Cc1c(C)c(C)c2cc(C=Cc3ccccc3)ccc2c1C.
What is the InChIKey of 1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene?
The InChIKey is IBJQLCVHVAJWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-15-16(2)18(4)22-14-20(12-13-21(22)17(15)3)11-10-19-8-6-5-7-9-19/h5-14H,1-4H3.
What are the key properties of 1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene?
1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene has a molecular weight of 286.42 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene is sourced from PubChem (CID 173240821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).